3-methyl-1-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-methyl-1-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]thio]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[[2-keto-2-(2,4,5-trimethylphenyl)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:

CC1=CC(=C(C=C1C(=O)CSC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CSC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C)C)C

InChI

InChI=1S/C24H21N3OS/c1-14-9-16(3)18(10-15(14)2)22(28)13-29-23-11-17(4)19(12-25)24-26-20-7-5-6-8-21(20)27(23)24/h5-11H,13H2,1-4H3