N-(2-methyl-3-nitro-phenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-2-[[5-(trifluoromethyl)-2-pyridyl]thio]propionamide Formula: C16H14F3N3O3S MolecularWeight: 385.36087

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)SC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)SC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H14F3N3O3S/c1-9-12(4-3-5-13(9)22(24)25)21-15(23)10(2)26-14-7-6-11(8-20-14)16(17,18)19/h3-8,10H,1-2H3,(H,21,23)