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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NN=CN2C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NN=CN2C

InChI

InChI=1S/C13H20N4O3S/c1-3-20-12(19)10-4-6-17(7-5-10)11(18)8-21-13-15-14-9-16(13)2/h9-10H,3-8H2,1-2H3