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

Systemtic Name: methyl 3-[2-(4-methylphenyl)sulfanylethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-[2-(p-tolylsulfanyl)ethyl]-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[2-[(4-methylphenyl)thio]ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-(4-methylphenyl)sulfanylethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-[2-(p-tolylthio)ethyl]-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S

Isomeric SMILES

CC1=CC=C(C=C1)SCCN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S

InChI

InChI=1S/C19H18N2O3S2/c1-12-3-6-14(7-4-12)26-10-9-21-17(22)15-8-5-13(18(23)24-2)11-16(15)20-19(21)25/h3-8,11H,9-10H2,1-2H3,(H,20,25)