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

Systemtic Name: 3-pyridin-2-yl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(2-pyridyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(2-pyridinyl)-5-[[3-(trifluoromethyl)phenyl]methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-pyridin-2-yl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(2-pyridyl)-5-[[3-(trifluoromethyl)benzyl]thio]-1,2,4-triazol-4-yl]amine Formula: C15H12F3N5S MolecularWeight: 351.34949

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12F3N5S/c16-15(17,18)11-5-3-4-10(8-11)9-24-14-22-21-13(23(14)19)12-6-1-2-7-20-12/h1-8H,9,19H2