N-butyl-3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-butyl-3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-butyl-3-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-butyl-3-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-butyl-3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-butyl-3-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C16H18F3N3O2S MolecularWeight: 373.39323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=CO2

Isomeric SMILES

CCCCNC(=O)CCSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=CO2

InChI

InChI=1S/C16H18F3N3O2S/c1-2-3-7-20-14(23)6-9-25-15-21-11(12-5-4-8-24-12)10-13(22-15)16(17,18)19/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,20,23)