N-(1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C15H12F3N3O3S MolecularWeight: 371.33429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12F3N3O3S/c1-8(25-14-19-5-4-12(21-14)15(16,17)18)13(22)20-9-2-3-10-11(6-9)24-7-23-10/h2-6,8H,7H2,1H3,(H,20,22)