1-(2,6-dimethylpiperidin-1-yl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,6-dimethylpiperidin-1-yl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,6-dimethyl-1-piperidyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2,6-dimethyl-1-piperidinyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]ethanone IUPAC Name: 1-(2,6-dimethylpiperidin-1-yl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,6-dimethylpiperidino)-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:

CC1CCCC(N1C(=O)CSC2=NNC(=C2[N+](=O)[O-])C)C

Isomeric SMILES

CC1CCCC(N1C(=O)CSC2=NNC(=C2[N+](=O)[O-])C)C

InChI

InChI=1S/C13H20N4O3S/c1-8-5-4-6-9(2)16(8)11(18)7-21-13-12(17(19)20)10(3)14-15-13/h8-9H,4-7H2,1-3H3,(H,14,15)