N-[[5-[2,4-bis(fluoranyl)phenyl]-1H-pyrazol-4-yl]methyl]-2-methylsulfanyl-ethanamine

Systemtic Name: N-[[5-[2,4-bis(fluoranyl)phenyl]-1H-pyrazol-4-yl]methyl]-2-methylsulfanyl-ethanamine Openeye Name: N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methylsulfanyl-ethanamine CAS Name: N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(methylthio)ethanamine IUPAC Name: N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methylsulfanylethanamine Traditional Name: [5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl-[2-(methylthio)ethyl]amine Formula: C13H15F2N3S MolecularWeight: 283.340106

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNCC1=C(NN=C1)C2=C(C=C(C=C2)F)F

Isomeric SMILES

CSCCNCC1=C(NN=C1)C2=C(C=C(C=C2)F)F

InChI

InChI=1S/C13H15F2N3S/c1-19-5-4-16-7-9-8-17-18-13(9)11-3-2-10(14)6-12(11)15/h2-3,6,8,16H,4-5,7H2,1H3,(H,17,18)