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

Systemtic Name: methyl 1-[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]isonipecotic acid methyl ester Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C16H19N5O3S/c1-24-15(23)12-4-8-21(9-5-12)13(22)10-25-16-18-14(19-20-16)11-2-6-17-7-3-11/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,18,19,20)