2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxo-4-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C23H22N6O2S MolecularWeight: 446.52478

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4)C

InChI

InChI=1S/C23H22N6O2S/c1-27-18-10-6-7-11-19(18)28(2)21(27)17(14-24)20(30)15-32-23-26-25-22(31)29(23)13-12-16-8-4-3-5-9-16/h3-11H,12-13,15H2,1-2H3,(H,25,31)