(2Z)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile

Systemtic Name: (2Z)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: (2Z)-4-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: (2Z)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: (2Z)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: (2Z)-4-[(4-isopropyl-1,2,4-triazol-3-yl)thio]-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)butyronitrile Formula: C17H18N6OS MolecularWeight: 354.42942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2C)C#N

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)/C(=C\2/NC3=CC=CC=C3N2C)/C#N

InChI

InChI=1S/C17H18N6OS/c1-11(2)23-10-19-21-17(23)25-9-15(24)12(8-18)16-20-13-6-4-5-7-14(13)22(16)3/h4-7,10-11,20H,9H2,1-3H3/b16-12-