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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-tert-butyl-propanamide Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-tert-butyl-propanamide CAS Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-tert-butylpropanamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-tert-butylpropanamide Traditional Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-tert-butyl-propionamide Formula: C19H20F3N3O3S MolecularWeight: 427.44061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CCSC1=NC(=CC(=N1)C(F)(F)F)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)NC(=O)CCSC1=NC(=CC(=N1)C(F)(F)F)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H20F3N3O3S/c1-18(2,3)25-16(26)6-7-29-17-23-12(9-15(24-17)19(20,21)22)11-4-5-13-14(8-11)28-10-27-13/h4-5,8-9H,6-7,10H2,1-3H3,(H,25,26)