2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)ethanamide

Systemtic Name: 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)ethanamide Openeye Name: 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)acetamide CAS Name: N-(2-mercaptoethyl)-2-[5-methyl-4-nitro-3-(trifluoromethyl)-1-pyrazolyl]acetamide IUPAC Name: 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)acetamide Traditional Name: N-(2-mercaptoethyl)-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide Formula: C9H11F3N4O3S MolecularWeight: 312.26885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NCCS)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NCCS)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C9H11F3N4O3S/c1-5-7(16(18)19)8(9(10,11)12)14-15(5)4-6(17)13-2-3-20/h20H,2-4H2,1H3,(H,13,17)