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

Systemtic Name: 3-[(4-fluorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: 3-[(4-fluorophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate IUPAC Name: 3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-(4-fluorobenzyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxylate Formula: C16H10FN2O3S- MolecularWeight: 329.325603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)[O-])NC2=S)F

Isomeric SMILES

C1=CC(=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)[O-])NC2=S)F

InChI

InChI=1S/C16H11FN2O3S/c17-11-4-1-9(2-5-11)8-19-14(20)12-6-3-10(15(21)22)7-13(12)18-16(19)23/h1-7H,8H2,(H,18,23)(H,21,22)/p-1