(Z)-3-[5-nitro-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-phenyl]-N-phenyl-prop-2-enamide

Systemtic Name: (Z)-3-[5-nitro-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-phenyl]-N-phenyl-prop-2-enamide Openeye Name: (Z)-3-[5-nitro-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]phenyl]-N-phenyl-prop-2-enamide CAS Name: (Z)-3-[5-nitro-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]phenyl]-N-phenyl-2-propenamide IUPAC Name: (Z)-3-[5-nitro-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]-N-phenylprop-2-enamide Traditional Name: (Z)-3-[5-nitro-2-[[5-(trifluoromethyl)-2-pyridyl]thio]phenyl]-N-phenyl-acrylamide Formula: C21H14F3N3O3S MolecularWeight: 445.41437

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H14F3N3O3S/c22-21(23,24)15-7-11-20(25-13-15)31-18-9-8-17(27(29)30)12-14(18)6-10-19(28)26-16-4-2-1-3-5-16/h1-13H,(H,26,28)/b10-6-