5-[2-(4-methylphenyl)sulfonylethylsulfanyl]-4-phenyl-1,2,4-triazol-3-olate

Systemtic Name: 5-[2-(4-methylphenyl)sulfonylethylsulfanyl]-4-phenyl-1,2,4-triazol-3-olate Openeye Name: 4-phenyl-5-[2-(p-tolylsulfonyl)ethylsulfanyl]-1,2,4-triazol-3-olate CAS Name: 5-[2-(4-methylphenyl)sulfonylethylthio]-4-phenyl-1,2,4-triazol-3-olate IUPAC Name: 5-[2-(4-methylphenyl)sulfonylethylsulfanyl]-4-phenyl-1,2,4-triazol-3-olate Traditional Name: 4-phenyl-5-(2-tosylethylthio)-1,2,4-triazol-3-olate Formula: C17H16N3O3S2- MolecularWeight: 374.45724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=NN=C(N2C3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=NN=C(N2C3=CC=CC=C3)[O-]

InChI

InChI=1S/C17H17N3O3S2/c1-13-7-9-15(10-8-13)25(22,23)12-11-24-17-19-18-16(21)20(17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,21)/p-1