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

Systemtic Name: methyl 3-[(4-methylphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-(p-tolylmethyl)-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-(4-methylbenzyl)-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S

InChI

InChI=1S/C18H16N2O3S/c1-11-3-5-12(6-4-11)10-20-16(21)14-8-7-13(17(22)23-2)9-15(14)19-18(20)24/h3-9H,10H2,1-2H3,(H,19,24)