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

Systemtic Name: 1-[(2R)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[(1R)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]thio]-3-ethyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-ethylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[[(1R)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl]thio]-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SC(C)C(=O)C4=CC(=C(C=C4)C)C)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)S[C@H](C)C(=O)C4=CC(=C(C=C4)C)C)C#N

InChI

InChI=1S/C25H23N3OS/c1-5-18-13-23(30-17(4)24(29)19-11-10-15(2)16(3)12-19)28-22-9-7-6-8-21(22)27-25(28)20(18)14-26/h6-13,17H,5H2,1-4H3/t17-/m1/s1