[4-[(3-methylpyridin-2-yl)methyl]phenyl] 4-(1H-1,2,4-triazol-5-ylsulfanyl)piperidine-1-carboxylate

Systemtic Name: [4-[(3-methylpyridin-2-yl)methyl]phenyl] 4-(1H-1,2,4-triazol-5-ylsulfanyl)piperidine-1-carboxylate Openeye Name: [4-[(3-methyl-2-pyridyl)methyl]phenyl] 4-(1H-1,2,4-triazol-5-ylsulfanyl)piperidine-1-carboxylate CAS Name: 4-(1H-1,2,4-triazol-5-ylthio)-1-piperidinecarboxylic acid [4-[(3-methyl-2-pyridinyl)methyl]phenyl] ester IUPAC Name: [4-[(3-methylpyridin-2-yl)methyl]phenyl] 4-(1H-1,2,4-triazol-5-ylsulfanyl)piperidine-1-carboxylate Traditional Name: 4-(1H-1,2,4-triazol-5-ylthio)piperidine-1-carboxylic acid [4-[(3-methyl-2-pyridyl)methyl]phenyl] ester Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)CC2=CC=C(C=C2)OC(=O)N3CCC(CC3)SC4=NC=NN4

Isomeric SMILES

CC1=C(N=CC=C1)CC2=CC=C(C=C2)OC(=O)N3CCC(CC3)SC4=NC=NN4

InChI

InChI=1S/C21H23N5O2S/c1-15-3-2-10-22-19(15)13-16-4-6-17(7-5-16)28-21(27)26-11-8-18(9-12-26)29-20-23-14-24-25-20/h2-7,10,14,18H,8-9,11-13H2,1H3,(H,23,24,25)