[4-(4-cyanophenyl)phenyl] 3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] 3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxylic acid [4-(4-cyanophenyl)phenyl] ester Formula: C23H15N3O3S MolecularWeight: 413.4485

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)NC1=S

InChI

InChI=1S/C23H15N3O3S/c1-26-21(27)19-11-8-17(12-20(19)25-23(26)30)22(28)29-18-9-6-16(7-10-18)15-4-2-14(13-24)3-5-15/h2-12H,1H3,(H,25,30)