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

Systemtic Name: [1-[(E)-(2-methyl-4-oxidanylidene-quinazolin-3-yl)iminomethyl]naphthalen-2-yl] 4-methylbenzenesulfonate Openeye Name: [1-[(E)-(2-methyl-4-oxo-quinazolin-3-yl)iminomethyl]-2-naphthyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-[(E)-(2-methyl-4-oxo-3-quinazolinyl)iminomethyl]-2-naphthalenyl] ester IUPAC Name: [1-[(E)-(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]naphthalen-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-[(E)-(4-keto-2-methyl-quinazolin-3-yl)iminomethyl]-2-naphthyl] ester Formula: C27H21N3O4S MolecularWeight: 483.53834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=CC=CC=C3C=C2)C=NN4C(=NC5=CC=CC=C5C4=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/N4C(=NC5=CC=CC=C5C4=O)C

InChI

InChI=1S/C27H21N3O4S/c1-18-11-14-21(15-12-18)35(32,33)34-26-16-13-20-7-3-4-8-22(20)24(26)17-28-30-19(2)29-25-10-6-5-9-23(25)27(30)31/h3-17H,1-2H3/b28-17+