1-[(2R)-2-ethylpiperidin-1-yl]-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[(2R)-2-ethylpiperidin-1-yl]-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[(2R)-2-ethyl-1-piperidyl]-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]ethanone CAS Name: 1-[(2R)-2-ethyl-1-piperidinyl]-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]ethanone IUPAC Name: 1-[(2R)-2-ethylpiperidin-1-yl]-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[(2R)-2-ethylpiperidino]-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]ethanone Formula: C13H20N4O3S MolecularWeight: 312.3879

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NNC(=C2[N+](=O)[O-])C

Isomeric SMILES

CC[C@@H]1CCCCN1C(=O)CSC2=NNC(=C2[N+](=O)[O-])C

InChI

InChI=1S/C13H20N4O3S/c1-3-10-6-4-5-7-16(10)11(18)8-21-13-12(17(19)20)9(2)14-15-13/h10H,3-8H2,1-2H3,(H,14,15)/t10-/m1/s1