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

Systemtic Name: 4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxobutanenitrile IUPAC Name: 4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NNC(=N3)C4CCCC4)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NNC(=N3)C4CCCC4)C

InChI

InChI=1S/C20H22N6OS/c1-25-15-9-5-6-10-16(15)26(2)19(25)14(11-21)17(27)12-28-20-22-18(23-24-20)13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8,12H2,1-2H3,(H,22,23,24)