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

Systemtic Name: 4-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazole-3-thiolate CAS Name: 4-phenyl-5-[(2-pyrimidinylthio)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-phenyl-5-[(2-pyrimidylthio)methyl]-1,2,4-triazole-3-thiolate Formula: C13H10N5S2- MolecularWeight: 300.382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2[S-])CSC3=NC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2[S-])CSC3=NC=CC=N3

InChI

InChI=1S/C13H11N5S2/c19-13-17-16-11(9-20-12-14-7-4-8-15-12)18(13)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,19)/p-1