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

Systemtic Name: 3-[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylmethyl]benzoate Openeye Name: 3-[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-cyano-3-ethyl-1-pyrido[1,2-a]benzimidazolyl)thio]methyl]benzoate IUPAC Name: 3-[(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)thio]methyl]benzoate Formula: C22H16N3O2S- MolecularWeight: 386.44634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=CC=CC(=C4)C(=O)[O-])C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=CC=CC(=C4)C(=O)[O-])C#N

InChI

InChI=1S/C22H17N3O2S/c1-2-15-11-20(28-13-14-6-5-7-16(10-14)22(26)27)25-19-9-4-3-8-18(19)24-21(25)17(15)12-23/h3-11H,2,13H2,1H3,(H,26,27)/p-1