1-(2,6-dimethylpiperidin-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,6-dimethylpiperidin-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,6-dimethyl-1-piperidyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2,6-dimethyl-1-piperidinyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,6-dimethylpiperidin-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,6-dimethylpiperidino)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C13H22N4OS MolecularWeight: 282.40498

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC(=O)N2C(CCCC2C)C

Isomeric SMILES

CCC1=NC(=NN1)SCC(=O)N2C(CCCC2C)C

InChI

InChI=1S/C13H22N4OS/c1-4-11-14-13(16-15-11)19-8-12(18)17-9(2)6-5-7-10(17)3/h9-10H,4-8H2,1-3H3,(H,14,15,16)