phenyl (E)-3-[5-nitro-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-phenyl]prop-2-enoate

Systemtic Name: phenyl (E)-3-[5-nitro-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-phenyl]prop-2-enoate Openeye Name: phenyl (E)-3-[5-nitro-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]phenyl]prop-2-enoate CAS Name: (E)-3-[5-nitro-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]phenyl]-2-propenoic acid phenyl ester IUPAC Name: phenyl (E)-3-[5-nitro-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]prop-2-enoate Traditional Name: (E)-3-[5-nitro-2-[[5-(trifluoromethyl)-2-pyridyl]thio]phenyl]acrylic acid phenyl ester Formula: C21H13F3N2O4S MolecularWeight: 446.39913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C=CC2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)/C=C/C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H13F3N2O4S/c22-21(23,24)15-7-10-19(25-13-15)31-18-9-8-16(26(28)29)12-14(18)6-11-20(27)30-17-4-2-1-3-5-17/h1-13H/b11-6+