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

Systemtic Name: 3-phenyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-phenyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-phenyl-5-[[3-(trifluoromethyl)phenyl]methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-phenyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-phenyl-5-[[3-(trifluoromethyl)benzyl]thio]-1,2,4-triazol-4-yl]amine Formula: C16H13F3N4S MolecularWeight: 350.36143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C16H13F3N4S/c17-16(18,19)13-8-4-5-11(9-13)10-24-15-22-21-14(23(15)20)12-6-2-1-3-7-12/h1-9H,10,20H2