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

Systemtic Name: methyl 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C13H20N4O3S MolecularWeight: 312.3879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC(=O)N2CCC(CC2)C(=O)OC

Isomeric SMILES

CC1=NN=C(N1C)SCC(=O)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C13H20N4O3S/c1-9-14-15-13(16(9)2)21-8-11(18)17-6-4-10(5-7-17)12(19)20-3/h10H,4-8H2,1-3H3