4-(4-fluorophenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-fluorophenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-fluorophenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(4-fluorophenyl)-5-[(2-pyrimidinylthio)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-fluorophenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-fluorophenyl)-5-[(2-pyrimidylthio)methyl]-1,2,4-triazole-3-thiolate Formula: C13H9FN5S2- MolecularWeight: 318.372463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC2=NN=C(N2C3=CC=C(C=C3)F)[S-]

Isomeric SMILES

C1=CN=C(N=C1)SCC2=NN=C(N2C3=CC=C(C=C3)F)[S-]

InChI

InChI=1S/C13H10FN5S2/c14-9-2-4-10(5-3-9)19-11(17-18-13(19)20)8-21-12-15-6-1-7-16-12/h1-7H,8H2,(H,18,20)/p-1