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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NN2)SCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NN2)SCC3=CC=C(C=C3)C(F)(F)F

InChI

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