3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate IUPAC Name: 3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxylate Formula: C15H7ClFN2O3S- MolecularWeight: 349.744083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)[O-])NC(=S)N(C2=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC2=C(C=C1C(=O)[O-])NC(=S)N(C2=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C15H8ClFN2O3S/c16-10-6-8(2-4-11(10)17)19-13(20)9-3-1-7(14(21)22)5-12(9)18-15(19)23/h1-6H,(H,18,23)(H,21,22)/p-1