methyl 4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzoate

Systemtic Name: methyl 4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzoate Openeye Name: methyl 4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)benzoate CAS Name: 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoate Traditional Name: 4-(4-keto-2-thioxo-1H-quinazolin-3-yl)benzoic acid methyl ester Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S

InChI

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