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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)C(=C3NC4=CC=CC=C4N3C)C#N

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)/C(=C/3\NC4=CC=CC=C4N3C)/C#N

InChI

InChI=1S/C21H18N6OS/c1-14-24-25-21(27(14)15-8-4-3-5-9-15)29-13-19(28)16(12-22)20-23-17-10-6-7-11-18(17)26(20)2/h3-11,23H,13H2,1-2H3/b20-16+