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K7G

Summary
Name:thiapronil
Synonyms:(2Z)-3-(2-chlorophenyl)-3-oxo-2-(4-phenyl-1,3-thiazol-2(3H)-ylidene)propanenitrile
Formula:C18 H11 Cl N2 O S
Formal charge:0
Formula weight:338.811 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2Z)-3-(2-chlorophenyl)-3-oxo-2-(4-phenyl-1,3-thiazol-2(3H)-ylidene)propanenitrile
OpenEye OEToolkits2.0.6(2~{Z})-3-(2-chlorophenyl)-3-oxidanylidene-2-(4-phenyl-3~{H}-1,3-thiazol-2-ylidene)propanenitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(c(cccc1)Cl)C(/C(C#N)=C2/NC(=CS2)c3ccccc3)=O
InChIInChI1.03InChI=1S/C18H11ClN2OS/c19-15-9-5-4-8-13(15)17(22)14(10-20)18-21-16(11-23-18)12-6-2-1-3-7-12/h1-9,11,21H/b18-14-
InChIKeyInChI1.03VBXLZVRONLPCMO-JXAWBTAJSA-N
SMILES_CANONICALCACTVS3.385Clc1ccccc1C(=O)/C(C#N)=C2/NC(=CS2)c3ccccc3
SMILESCACTVS3.385Clc1ccccc1C(=O)C(C#N)=C2NC(=CS2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)C2=CS/C(=C(/C#N)\C(=O)c3ccccc3Cl)/N2
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)C2=CSC(=C(C#N)C(=O)c3ccccc3Cl)N2

217705

PDB entries from 2024-03-27

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