3-[(4-fluoranylphenoxy)methyl]-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-fluoranylphenoxy)methyl]-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-fluorophenoxy)methyl]-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-fluorophenoxy)methyl]-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-fluorophenoxy)methyl]-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-fluorophenoxy)methyl]-5-(4-pyridylmethylthio)-1,2,4-triazol-4-yl]amine Formula: C15H14FN5OS MolecularWeight: 331.367963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC2=NN=C(N2N)SCC3=CC=NC=C3)F

Isomeric SMILES

C1=CC(=CC=C1OCC2=NN=C(N2N)SCC3=CC=NC=C3)F

InChI

InChI=1S/C15H14FN5OS/c16-12-1-3-13(4-2-12)22-9-14-19-20-15(21(14)17)23-10-11-5-7-18-8-6-11/h1-8H,9-10,17H2