1-[(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[(1S)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]thio]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[[(1S)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-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=C(C=C(C=C1)C(=O)C(C)SC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](C)SC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C)C

InChI

InChI=1S/C24H21N3OS/c1-14-9-10-18(11-15(14)2)23(28)17(4)29-22-12-16(3)19(13-25)24-26-20-7-5-6-8-21(20)27(22)24/h5-12,17H,1-4H3/t17-/m0/s1