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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)SCC(=O)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)SCC(=O)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C12H18N4O3S/c1-9-11(16(18)19)12(14-13-9)20-8-10(17)15-6-4-2-3-5-7-15/h2-8H2,1H3,(H,13,14)