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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N

InChI

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