3-[[2,6-bis(fluoranyl)phenyl]methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine

Systemtic Name: 3-[[2,6-bis(fluoranyl)phenyl]methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine Openeye Name: 3-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-pyridyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2,6-difluorophenyl)methylthio]-5-(2-pyridinyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2,6-difluorophenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine Traditional Name: [3-[(2,6-difluorobenzyl)thio]-5-(2-pyridyl)-1,2,4-triazol-4-yl]amine Formula: C14H11F2N5S MolecularWeight: 319.332446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NN=C(N2N)SCC3=C(C=CC=C3F)F

Isomeric SMILES

C1=CC=NC(=C1)C2=NN=C(N2N)SCC3=C(C=CC=C3F)F

InChI

InChI=1S/C14H11F2N5S/c15-10-4-3-5-11(16)9(10)8-22-14-20-19-13(21(14)17)12-6-1-2-7-18-12/h1-7H,8,17H2