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

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxo-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-3-keto-butyronitrile Formula: C18H20N6OS MolecularWeight: 368.456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

InChI

InChI=1S/C18H20N6OS/c1-11(2)16-20-18(22-21-16)26-10-15(25)12(9-19)17-23(3)13-7-5-6-8-14(13)24(17)4/h5-8,11H,10H2,1-4H3,(H,20,21,22)