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

Systemtic Name: ethyl 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NNC(=N3)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NNC(=N3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C23H22N4O3S/c1-4-30-22(28)20-14(2)17-7-5-6-8-18(17)24-19(20)13-31-23-25-21(26-27-23)15-9-11-16(29-3)12-10-15/h5-12H,4,13H2,1-3H3,(H,25,26,27)