5-[[(3-chlorophenyl)-(4-methylphenyl)sulfonyl-amino]methyl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[[(3-chlorophenyl)-(4-methylphenyl)sulfonyl-amino]methyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[[3-chloro-N-(p-tolylsulfonyl)anilino]methyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(3-chloro-N-(4-methylphenyl)sulfonylanilino)methyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(3-chloro-N-(4-methylphenyl)sulfonylanilino)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(3-chloro-N-tosyl-anilino)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C22H18ClN4O2S2- MolecularWeight: 469.98692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=NN=C(N2C3=CC=CC=C3)[S-])C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=NN=C(N2C3=CC=CC=C3)[S-])C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H19ClN4O2S2/c1-16-10-12-20(13-11-16)31(28,29)26(19-9-5-6-17(23)14-19)15-21-24-25-22(30)27(21)18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,25,30)/p-1