N-(2-chloranyl-4-nitro-phenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[[5-(trifluoromethyl)-2-pyridyl]thio]propionamide Formula: C15H11ClF3N3O3S MolecularWeight: 405.77935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11ClF3N3O3S/c1-8(26-13-5-2-9(7-20-13)15(17,18)19)14(23)21-12-4-3-10(22(24)25)6-11(12)16/h2-8H,1H3,(H,21,23)