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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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