Viewing Compound With Structures

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Compound Report Overview

Compound Name: BUTOCONAZOLE
Compound Identifier: 704365
Mol Structure 2D: 704365
Molecular Weight: 412
Formula: C19 H17 Cl3 N2 S
Development Status: US FDA Approved
SMILES: Clc1ccc(CCC(Cn2ccnc2)Sc3c(Cl)cccc3Cl)cc1
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222052D 0 0.00000 0.00000 0^^ 25 27 0 0 0 999 V2000^ 4.4250 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.8417 -3.5667 0.0000 N 0 0 0 0 0 0 0 0 0^ 4.4375 -2.3042 0.0000 N 0 0 3 0 0 0 0 0 0^ 3.7292 -0.2417 0.0000 S 0 0 0 0 0 0 0 0 0^ 5.1042 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.1542 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.4292 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.0292 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7792 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.4375 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7292 -1.0750 0.0000 C 0 0 3 0 0 0 0 0 0^ 0.1542 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.1542 -1.0792 0.0000 Cl 0 0 0 0 0 0 0 0 0^ 3.7167 1.3958 0.0000 Cl 0 0 0 0 0 0 0 0 0^ 1.5792 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5750 -2.7542 0.0000 Cl 0 0 0 0 0 0 0 0 0^ 3.0167 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3000 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1542 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8667 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8667 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5792 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.8750 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.1542 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.8750 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 5 2 0 0 0^ 3 10 1 0 0 0^ 4 1 1 0 0 0^ 5 3 1 0 0 0^ 6 1 2 0 0 0^ 7 1 1 0 0 0^ 8 9 2 0 0 0^ 9 3 1 0 0 0^ 10 11 1 0 0 0^ 11 4 1 0 0 0^ 12 20 2 0 0 0^ 13 6 1 0 0 0^ 14 7 1 0 0 0^ 15 18 1 0 0 0^ 16 12 1 0 0 0^ 17 11 1 0 0 0^ 18 17 1 0 0 0^ 19 21 2 0 0 0^ 20 22 1 0 0 0^ 21 15 1 0 0 0^ 22 15 2 0 0 0^ 23 24 1 0 0 0^ 24 7 2 0 0 0^ 25 6 1 0 0 0^ 23 25 2 0 0 0^ 2 8 1 0 0 0^ 12 19 1 0 0 0^M END^^
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