3-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[[4-fluoro-3-(trifluoromethyl)benzyl]thio]-1H-1,2,4-triazol-5-yl]amine Formula: C10H8F4N4S MolecularWeight: 292.255933

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSC2=NNC(=N2)N)C(F)(F)F)F

Isomeric SMILES

C1=CC(=C(C=C1CSC2=NNC(=N2)N)C(F)(F)F)F

InChI

InChI=1S/C10H8F4N4S/c11-7-2-1-5(3-6(7)10(12,13)14)4-19-9-16-8(15)17-18-9/h1-3H,4H2,(H3,15,16,17,18)