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

Systemtic Name: 1-[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[(1S)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl]thio]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl]sulfanyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[[(1S)-2-keto-1-methyl-2-p-phenetyl-ethyl]thio]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)SC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)SC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

InChI

InChI=1S/C24H21N3O2S/c1-4-29-18-11-9-17(10-12-18)23(28)16(3)30-22-13-15(2)19(14-25)24-26-20-7-5-6-8-21(20)27(22)24/h5-13,16H,4H2,1-3H3/t16-/m0/s1