N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide Formula: C12H12F3N3O2S MolecularWeight: 319.30279

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CSCCNC(=O)C2=C(NN=C2)C(F)(F)F

Isomeric SMILES

C1=COC(=C1)CSCCNC(=O)C2=C(NN=C2)C(F)(F)F

InChI

InChI=1S/C12H12F3N3O2S/c13-12(14,15)10-9(6-17-18-10)11(19)16-3-5-21-7-8-2-1-4-20-8/h1-2,4,6H,3,5,7H2,(H,16,19)(H,17,18)