[2-[(E)-(2-methyl-4-oxidanylidene-quinazolin-3-yl)iminomethyl]phenyl] 4-methylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=NN3C(=NC4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2/C=N/N3C(=NC4=CC=CC=C4C3=O)C

InChI

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