[4-[(E)-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)iminomethyl]phenyl] benzenesulfonate

Systemtic Name: [4-[(E)-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)iminomethyl]phenyl] benzenesulfonate Openeye Name: [4-[(E)-(2-ethyl-4-oxo-quinazolin-3-yl)iminomethyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[(E)-(2-ethyl-4-oxo-3-quinazolinyl)iminomethyl]phenyl] ester IUPAC Name: [4-[(E)-(2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[(E)-(2-ethyl-4-keto-quinazolin-3-yl)iminomethyl]phenyl] ester Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=O)N1/N=C/C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H19N3O4S/c1-2-22-25-21-11-7-6-10-20(21)23(27)26(22)24-16-17-12-14-18(15-13-17)30-31(28,29)19-8-4-3-5-9-19/h3-16H,2H2,1H3/b24-16+