4-oxidanylidene-3-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 4-oxidanylidene-3-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: 4-oxo-3-(4-phenoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate IUPAC Name: 4-oxo-3-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-(4-phenoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxylate Formula: C21H13N2O4S- MolecularWeight: 389.40392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(C=C(C=C4)C(=O)[O-])NC3=S

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(C=C(C=C4)C(=O)[O-])NC3=S

InChI

InChI=1S/C21H14N2O4S/c24-19-17-11-6-13(20(25)26)12-18(17)22-21(28)23(19)14-7-9-16(10-8-14)27-15-4-2-1-3-5-15/h1-12H,(H,22,28)(H,25,26)/p-1