5-(phenylsulfanylmethyl)-1H-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(phenylsulfanylmethyl)-1H-1,2,4-triazole-3-thiolate Openeye Name: 5-(phenylsulfanylmethyl)-1H-1,2,4-triazole-3-thiolate CAS Name: 5-[(phenylthio)methyl]-1H-1,2,4-triazole-3-thiolate IUPAC Name: 5-(phenylsulfanylmethyl)-1H-1,2,4-triazole-3-thiolate Traditional Name: 5-[(phenylthio)methyl]-1H-1,2,4-triazole-3-thiolate Formula: C9H8N3S2- MolecularWeight: 222.30992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=NC(=NN2)[S-]

Isomeric SMILES

C1=CC=C(C=C1)SCC2=NC(=NN2)[S-]

InChI

InChI=1S/C9H9N3S2/c13-9-10-8(11-12-9)6-14-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12,13)/p-1