S-[4-[5-(4-methyl-3-nitro-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]peroxythiohydroxylamine

Systemtic Name: S-[4-[5-(4-methyl-3-nitro-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]peroxythiohydroxylamine Openeye Name: S-[4-[5-(4-methyl-3-nitro-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]peroxythiohydroxylamine CAS Name: S-[4-[5-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)-1-pyrazolyl]phenyl]dioxythiohydroxylamine IUPAC Name: S-[4-[5-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]peroxythiohydroxylamine Traditional Name: S-[4-[5-(4-methyl-3-nitro-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]peroxythiohydroxylamine Formula: C17H13F3N4O4S MolecularWeight: 426.36973

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)OOSN)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)OOSN)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H13F3N4O4S/c1-10-2-3-11(8-14(10)24(25)26)15-9-16(17(18,19)20)22-23(15)12-4-6-13(7-5-12)27-28-29-21/h2-9H,21H2,1H3