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

Systemtic Name: ethyl 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C22H19ClN4O2S MolecularWeight: 438.92986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=CN3C4=CC(=CC=C4)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=CN3C4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C22H19ClN4O2S/c1-3-29-21(28)20-14(2)17-9-4-5-10-18(17)25-19(20)12-30-22-26-24-13-27(22)16-8-6-7-15(23)11-16/h4-11,13H,3,12H2,1-2H3