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

Systemtic Name: methyl 2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C21H19N5O3S/c1-12-4-7-15(8-5-12)26-13(2)24-25-21(26)30-11-18-22-17-10-14(20(28)29-3)6-9-16(17)19(27)23-18/h4-10H,11H2,1-3H3,(H,22,23,27)