methyl 2-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[[1-(p-tolyl)tetrazol-5-yl]sulfanylmethyl]-1H-quinazoline-7-carboxylate CAS Name: 2-[[[1-(4-methylphenyl)-5-tetrazolyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[[1-(p-tolyl)tetrazol-5-yl]thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H16N6O3S MolecularWeight: 408.43374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C19H16N6O3S/c1-11-3-6-13(7-4-11)25-19(22-23-24-25)29-10-16-20-15-9-12(18(27)28-2)5-8-14(15)17(26)21-16/h3-9H,10H2,1-2H3,(H,20,21,26)