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

Systemtic Name: methyl 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NNC(=N3)CCC4CCCC4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NNC(=N3)CCC4CCCC4)C(=O)OC

InChI

InChI=1S/C22H26N4O2S/c1-14-16-9-5-6-10-17(16)23-18(20(14)21(27)28-2)13-29-22-24-19(25-26-22)12-11-15-7-3-4-8-15/h5-6,9-10,15H,3-4,7-8,11-13H2,1-2H3,(H,24,25,26)