2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[1-(o-tolyl)imidazol-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-4-[[1-(2-methylphenyl)-2-imidazolyl]thio]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-[[1-(o-tolyl)imidazol-2-yl]thio]butyronitrile Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CN=C2SCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

Isomeric SMILES

CC1=CC=CC=C1N2C=CN=C2SCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

InChI

InChI=1S/C23H21N5OS/c1-16-8-4-5-9-18(16)28-13-12-25-23(28)30-15-21(29)17(14-24)22-26(2)19-10-6-7-11-20(19)27(22)3/h4-13H,15H2,1-3H3