4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]-2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxobutanenitrile IUPAC Name: 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C19H20N6OS MolecularWeight: 380.4667

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

InChI

InChI=1S/C19H20N6OS/c1-12-21-22-19(25(12)13-8-9-13)27-11-17(26)14(10-20)18-23(2)15-6-4-5-7-16(15)24(18)3/h4-7,13H,8-9,11H2,1-3H3