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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]-N-piperonyl-propionamide Formula: C17H14ClF3N2O3S MolecularWeight: 418.81787

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C17H14ClF3N2O3S/c1-9(27-16-12(18)5-11(7-23-16)17(19,20)21)15(24)22-6-10-2-3-13-14(4-10)26-8-25-13/h2-5,7,9H,6,8H2,1H3,(H,22,24)