2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylethyl benzoate

Systemtic Name: 2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylethyl benzoate Openeye Name: 2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylethyl benzoate CAS Name: benzoic acid 2-[(4-cyano-3-ethyl-1-pyrido[1,2-a]benzimidazolyl)thio]ethyl ester IUPAC Name: 2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanylethyl benzoate Traditional Name: benzoic acid 2-[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)thio]ethyl ester Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O2S/c1-2-16-14-21(29-13-12-28-23(27)17-8-4-3-5-9-17)26-20-11-7-6-10-19(20)25-22(26)18(16)15-24/h3-11,14H,2,12-13H2,1H3