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

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxo-4-[(1-phenyl-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-[(1-phenyl-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=NN(C=N3)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

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