(2-butyl-4-cyano-1-oxidanylidene-5H-pyrido[1,2-a]benzimidazol-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-butyl-4-cyano-1-oxidanylidene-5H-pyrido[1,2-a]benzimidazol-3-yl) 4-methylbenzenesulfonate Openeye Name: (2-butyl-4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-butyl-4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl) ester IUPAC Name: (2-butyl-4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-butyl-4-cyano-1-keto-5H-pyrido[1,2-a]benzimidazol-3-yl) ester Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C2NC3=CC=CC=C3N2C1=O)C#N)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCC1=C(C(=C2NC3=CC=CC=C3N2C1=O)C#N)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H21N3O4S/c1-3-4-7-17-21(30-31(28,29)16-12-10-15(2)11-13-16)18(14-24)22-25-19-8-5-6-9-20(19)26(22)23(17)27/h5-6,8-13,25H,3-4,7H2,1-2H3