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

Systemtic Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: (2E)-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C18H14N6OS2 MolecularWeight: 394.47336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C18H14N6OS2/c1-24-13-6-3-2-5-12(13)20-17(24)11(9-19)14(25)10-27-18-21-16(22-23-18)15-7-4-8-26-15/h2-8,20H,10H2,1H3,(H,21,22,23)/b17-11+