3-methyl-1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-methyl-1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-1-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[[2-(4-methylphenyl)-2-oxoethyl]thio]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[[2-keto-2-(p-tolyl)ethyl]thio]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C22H17N3OS MolecularWeight: 371.45488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

InChI

InChI=1S/C22H17N3OS/c1-14-7-9-16(10-8-14)20(26)13-27-21-11-15(2)17(12-23)22-24-18-5-3-4-6-19(18)25(21)22/h3-11H,13H2,1-2H3