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

Systemtic Name: 3-methyl-1-[2-oxidanylidene-2-(4-propylphenyl)ethyl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-1-[2-oxo-2-(4-propylphenyl)ethyl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[[2-oxo-2-(4-propylphenyl)ethyl]thio]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-[2-oxo-2-(4-propylphenyl)ethyl]sulfanylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[[2-keto-2-(4-propylphenyl)ethyl]thio]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C24H21N3OS MolecularWeight: 399.50804

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CSC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CSC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

InChI

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