methyl 3-(3,4-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(3,4-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-(3,4-dimethylphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(3,4-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-(3,4-dimethylphenyl)-4-keto-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=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S)C

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3S/c1-10-4-6-13(8-11(10)2)20-16(21)14-7-5-12(17(22)23-3)9-15(14)19-18(20)24/h4-9H,1-3H3,(H,19,24)