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

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: 3-benzyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate IUPAC Name: 3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-benzyl-4-keto-2-thioxo-1H-quinazoline-7-carboxylate Formula: C16H11N2O3S- MolecularWeight: 311.33514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)[O-])NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)[O-])NC2=S

InChI

InChI=1S/C16H12N2O3S/c19-14-12-7-6-11(15(20)21)8-13(12)17-16(22)18(14)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,22)(H,20,21)/p-1