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

Systemtic Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone Openeye Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]-1-[(2R)-2-methyl-1-piperidyl]ethanone CAS Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]-1-[(2R)-2-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone Traditional Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]-1-[(2R)-2-methylpiperidino]ethanone Formula: C12H18N4O3S MolecularWeight: 298.36132

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NNC(=C2[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O3S/c1-8-5-3-4-6-15(8)10(17)7-20-12-11(16(18)19)9(2)13-14-12/h8H,3-7H2,1-2H3,(H,13,14)/t8-/m1/s1