(phenylmethyl) 4-(5-methyl-4-sulfanyl-1,2,3-triazol-1-yl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(5-methyl-4-sulfanyl-1,2,3-triazol-1-yl)piperidine-1-carboxylate Openeye Name: benzyl 4-(5-methyl-4-sulfanyl-triazol-1-yl)piperidine-1-carboxylate CAS Name: 4-(4-mercapto-5-methyl-1-triazolyl)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(5-methyl-4-sulfanyltriazol-1-yl)piperidine-1-carboxylate Traditional Name: 4-(4-mercapto-5-methyl-triazol-1-yl)piperidine-1-carboxylic acid benzyl ester Formula: C16H20N4O2S MolecularWeight: 332.4206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2CCN(CC2)C(=O)OCC3=CC=CC=C3)S

Isomeric SMILES

CC1=C(N=NN1C2CCN(CC2)C(=O)OCC3=CC=CC=C3)S

InChI

InChI=1S/C16H20N4O2S/c1-12-15(23)17-18-20(12)14-7-9-19(10-8-14)16(21)22-11-13-5-3-2-4-6-13/h2-6,14,23H,7-11H2,1H3