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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=CN3C4=CC=CC=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=CN3C4=CC=CC=C4C)C

InChI

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