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

Systemtic Name: methyl 1-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]isonipecotic acid methyl ester Formula: C15H18N4O3S2 MolecularWeight: 366.45842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C15H18N4O3S2/c1-22-14(21)10-4-6-19(7-5-10)12(20)9-24-15-16-13(17-18-15)11-3-2-8-23-11/h2-3,8,10H,4-7,9H2,1H3,(H,16,17,18)