methyl 4-methyl-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline-3-carboxylic acid methyl ester Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=C3C(=O)OC)C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=C3C(=O)OC)C)C

InChI

InChI=1S/C23H22N4O2S/c1-14-9-5-8-12-20(14)27-16(3)25-26-23(27)30-13-19-21(22(28)29-4)15(2)17-10-6-7-11-18(17)24-19/h5-12H,13H2,1-4H3