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

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxo-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C21H18N6OS MolecularWeight: 402.47222

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H18N6OS/c1-26-16-10-6-7-11-17(16)27(2)20(26)15(12-22)18(28)13-29-21-23-19(24-25-21)14-8-4-3-5-9-14/h3-11H,13H2,1-2H3,(H,23,24,25)