S-[4-[5-(4-methoxy-3-prop-2-enyl-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]peroxythiohydroxylamine

Systemtic Name: S-[4-[5-(4-methoxy-3-prop-2-enyl-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]peroxythiohydroxylamine Openeye Name: S-[4-[5-(3-allyl-4-methoxy-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]peroxythiohydroxylamine CAS Name: S-[4-[5-(4-methoxy-3-prop-2-enylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]phenyl]dioxythiohydroxylamine IUPAC Name: S-[4-[5-(4-methoxy-3-prop-2-enylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]peroxythiohydroxylamine Traditional Name: S-[4-[5-(3-allyl-4-methoxy-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]peroxythiohydroxylamine Formula: C20H18F3N3O3S MolecularWeight: 437.43543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)OOSN)C(F)(F)F)CC=C

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)OOSN)C(F)(F)F)CC=C

InChI

InChI=1S/C20H18F3N3O3S/c1-3-4-14-11-13(5-10-18(14)27-2)17-12-19(20(21,22)23)25-26(17)15-6-8-16(9-7-15)28-29-30-24/h3,5-12H,1,4,24H2,2H3