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

Systemtic Name: methyl 4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-phenyl-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-phenyl-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=CC=C3

InChI

InChI=1S/C16H12N2O3S/c1-21-15(20)10-7-8-12-13(9-10)17-16(22)18(14(12)19)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,22)