N-(2-methoxy-5-nitro-phenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2-[[5-(trifluoromethyl)-2-pyridyl]thio]propionamide Formula: C16H14F3N3O4S MolecularWeight: 401.36027

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H14F3N3O4S/c1-9(27-14-6-3-10(8-20-14)16(17,18)19)15(23)21-12-7-11(22(24)25)4-5-13(12)26-2/h3-9H,1-2H3,(H,21,23)