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

Systemtic Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile CAS Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: (2E)-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C20H16N6OS MolecularWeight: 388.44564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N6OS/c1-26-16-10-6-5-9-15(16)22-19(26)14(11-21)17(27)12-28-20-23-18(24-25-20)13-7-3-2-4-8-13/h2-10,22H,12H2,1H3,(H,23,24,25)/b19-14+