N-(1,3-benzodioxol-5-yl)-2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]propionamide Formula: C16H12ClF3N2O3S MolecularWeight: 404.79129

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C16H12ClF3N2O3S/c1-8(26-15-11(17)4-9(6-21-15)16(18,19)20)14(23)22-10-2-3-12-13(5-10)25-7-24-12/h2-6,8H,7H2,1H3,(H,22,23)