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

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[[3,5-bis(trifluoromethyl)benzyl]thio]-1H-1,2,4-triazol-5-yl]amine Formula: C11H8F6N4S MolecularWeight: 342.263439

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CSC2=NNC(=N2)N

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CSC2=NNC(=N2)N

InChI

InChI=1S/C11H8F6N4S/c12-10(13,14)6-1-5(2-7(3-6)11(15,16)17)4-22-9-19-8(18)20-21-9/h1-3H,4H2,(H3,18,19,20,21)