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

Systemtic Name: 1-[2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: 1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-4-piperidinecarboxylate IUPAC Name: 1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]isonipecotate Formula: C18H21N4O3S- MolecularWeight: 373.44934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)N3CCC(CC3)C(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)N3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C18H22N4O3S/c1-13-19-20-18(22(13)11-14-5-3-2-4-6-14)26-12-16(23)21-9-7-15(8-10-21)17(24)25/h2-6,15H,7-12H2,1H3,(H,24,25)/p-1