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

Systemtic Name: 3-[(4-phenylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-phenylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-phenylphenyl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-phenylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-phenylbenzyl)thio]-5-(trifluoromethyl)-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=CC=C(C=C2)CSC3=NN=C(N3N)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CSC3=NN=C(N3N)C(F)(F)F

InChI

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