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

Systemtic Name: methyl 1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C12H18N4O3S MolecularWeight: 298.36132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC(=O)N2CCC(CC2)C(=O)OC

Isomeric SMILES

CC1=NC(=NN1)SCC(=O)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C12H18N4O3S/c1-8-13-12(15-14-8)20-7-10(17)16-5-3-9(4-6-16)11(18)19-2/h9H,3-7H2,1-2H3,(H,13,14,15)