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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

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