Viewing Compound With Structures

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Compound Report Overview

Compound Name: MC 258231
Compound Identifier: 704555
Mol Structure 2D: 704555
Molecular Weight: 345
Formula: C20 H15 N3 O S
Development Status: Laboratory Testing
SMILES: O=n1ccccc1Sc2nnc(Cc3ccccc3)c4ccccc24
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222152D 0 0.00000 0.00000 0^^ 25 28 0 0 0 999 V2000^ -3.5833 -0.4167 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.9083 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9833 0.5125 0.0000 S 0 0 0 0 0 0 0 0 0^ -2.5083 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3833 -0.4250 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.7042 -0.4250 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.2375 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3833 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.7042 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.1000 0.5125 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.3000 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.1333 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8417 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9833 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9083 2.3917 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2375 2.3917 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3375 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9000 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5958 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5083 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3833 3.3458 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.7042 3.3458 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.4500 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8750 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9542 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 3 1 0 0 0^ 3 4 1 0 0 0^ 4 1 2 0 0 0^ 5 2 2 0 0 0^ 6 5 1 0 0 0^ 7 9 1 0 0 0^ 8 2 1 0 0 0^ 9 8 2 0 0 0^ 10 1 2 0 0 0^ 11 7 1 0 0 0^ 12 1 1 0 0 0^ 13 11 1 0 0 0^ 14 4 1 0 0 0^ 15 8 1 0 0 0^ 16 9 1 0 0 0^ 17 13 2 0 0 0^ 18 13 1 0 0 0^ 19 12 2 0 0 0^ 20 19 1 0 0 0^ 21 15 2 0 0 0^ 22 21 1 0 0 0^ 23 18 2 0 0 0^ 24 17 1 0 0 0^ 25 23 1 0 0 0^ 14 20 2 0 0 0^ 6 7 2 0 0 0^ 16 22 2 0 0 0^ 24 25 2 0 0 0^M END^^
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