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

Systemtic Name: methyl 4-methyl-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[[4-methyl-5-(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=C1C2=NN=C(N2C)SCC3=NC4=CC=CC=C4C(=C3C(=O)OC)C

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=NC4=CC=CC=C4C(=C3C(=O)OC)C

InChI

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