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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)CSC2=NN=C(N2N)C3=CN=CC=C3)F

Isomeric SMILES

C1=CC(=C(C(=C1)F)CSC2=NN=C(N2N)C3=CN=CC=C3)F

InChI

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