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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-propyl-propanamide Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-propyl-propanamide CAS Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-propylpropanamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-propylpropanamide Traditional Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-propyl-propionamide Formula: C18H18F3N3O3S MolecularWeight: 413.41403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3N3O3S/c1-2-6-22-16(25)5-7-28-17-23-12(9-15(24-17)18(19,20)21)11-3-4-13-14(8-11)27-10-26-13/h3-4,8-9H,2,5-7,10H2,1H3,(H,22,25)