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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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