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

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C17H12N6OS2 MolecularWeight: 380.44678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)CSC3=NNC(=N3)C4=CC=CS4)N2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)CSC3=NNC(=N3)C4=CC=CS4)N2

InChI

InChI=1S/C17H12N6OS2/c18-8-10(15-19-11-4-1-2-5-12(11)20-15)13(24)9-26-17-21-16(22-23-17)14-6-3-7-25-14/h1-7,19-20H,9H2,(H,21,22,23)