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

Systemtic Name: 1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[[2-(4-methylphenyl)-2-oxoethyl]thio]-3-propyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[[2-keto-2-(p-tolyl)ethyl]thio]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C24H21N3OS MolecularWeight: 399.50804

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)C4=CC=C(C=C4)C)C#N

Isomeric SMILES

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)C4=CC=C(C=C4)C)C#N

InChI

InChI=1S/C24H21N3OS/c1-3-6-18-13-23(29-15-22(28)17-11-9-16(2)10-12-17)27-21-8-5-4-7-20(21)26-24(27)19(18)14-25/h4-5,7-13H,3,6,15H2,1-2H3