N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethylsulfanyl)aniline

Systemtic Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethylsulfanyl)aniline Openeye Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethylsulfanyl)aniline CAS Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethylthio)aniline IUPAC Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethylsulfanyl)aniline Traditional Name: (3,5-dimethyl-1H-pyrazol-4-yl)methyl-[4-(trifluoromethylthio)phenyl]amine Formula: C13H14F3N3S MolecularWeight: 301.33057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CNC2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

CC1=C(C(=NN1)C)CNC2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C13H14F3N3S/c1-8-12(9(2)19-18-8)7-17-10-3-5-11(6-4-10)20-13(14,15)16/h3-6,17H,7H2,1-2H3,(H,18,19)