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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)SC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)CC

InChI

InChI=1S/C25H23N3OS/c1-4-17-10-12-19(13-11-17)24(29)16(3)30-23-14-18(5-2)20(15-26)25-27-21-8-6-7-9-22(21)28(23)25/h6-14,16H,4-5H2,1-3H3/t16-/m0/s1