1-[2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: 1-[2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: 1-[2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-4-piperidinecarboxylate IUPAC Name: 1-[2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]isonipecotate Formula: C22H22N5O3S- MolecularWeight: 436.50678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCC(CC3)C(=O)[O-])C4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCC(CC3)C(=O)[O-])C4=CC=NC=C4

InChI

InChI=1S/C22H23N5O3S/c1-15-4-2-3-5-18(15)27-20(16-6-10-23-11-7-16)24-25-22(27)31-14-19(28)26-12-8-17(9-13-26)21(29)30/h2-7,10-11,17H,8-9,12-14H2,1H3,(H,29,30)/p-1