3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-cyclopentyl-propanamide

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-cyclopentyl-propanamide Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-cyclopentyl-propanamide CAS Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-cyclopentylpropanamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-cyclopentylpropanamide Traditional Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-cyclopentyl-propionamide Formula: C20H20F3N3O3S MolecularWeight: 439.45131

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(C1)NC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20F3N3O3S/c21-20(22,23)17-10-14(12-5-6-15-16(9-12)29-11-28-15)25-19(26-17)30-8-7-18(27)24-13-3-1-2-4-13/h5-6,9-10,13H,1-4,7-8,11H2,(H,24,27)