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

Systemtic Name: methyl 4-methyl-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]thio]methyl]quinoline-3-carboxylic acid methyl ester Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=CN3CCC4=CC=CS4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=CN3CCC4=CC=CS4)C(=O)OC

InChI

InChI=1S/C21H20N4O2S2/c1-14-16-7-3-4-8-17(16)23-18(19(14)20(26)27-2)12-29-21-24-22-13-25(21)10-9-15-6-5-11-28-15/h3-8,11,13H,9-10,12H2,1-2H3