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

Systemtic Name: methyl 3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-(3-fluoro-4-methyl-phenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(3-fluoro-4-methylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-fluoro-4-methylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-(3-fluoro-4-methyl-phenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H13FN2O3S MolecularWeight: 344.360123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S)F

InChI

InChI=1S/C17H13FN2O3S/c1-9-3-5-11(8-13(9)18)20-15(21)12-6-4-10(16(22)23-2)7-14(12)19-17(20)24/h3-8H,1-2H3,(H,19,24)