2,4-bis(bromanyl)-6-[[2-[[4-(4-chlorophenyl)-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoylhydrazinylidene]methyl]phenolate

Systemtic Name: 2,4-bis(bromanyl)-6-[[2-[[4-(4-chlorophenyl)-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 2,4-dibromo-6-[[[2-[[4-(4-chlorophenyl)-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazono]methyl]phenolate CAS Name: 2,4-dibromo-6-[[[2-[[4-(4-chlorophenyl)-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl]thio]-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2,4-dibromo-6-[[[2-[[4-(4-chlorophenyl)-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 2,4-dibromo-6-[[[2-[[4-(4-chlorophenyl)-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl]thio]acetyl]hydrazono]methyl]phenolate Formula: C23H16Br2ClN5O2S MolecularWeight: 621.73144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[N+](C(=NN2)SCC(=O)NN=CC3=CC(=CC(=C3[O-])Br)Br)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=[N+](C(=NN2)SCC(=O)NN=CC3=CC(=CC(=C3[O-])Br)Br)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H16Br2ClN5O2S/c24-16-10-15(21(33)19(25)11-16)12-27-28-20(32)13-34-23-30-29-22(14-4-2-1-3-5-14)31(23)18-8-6-17(26)7-9-18/h1-12H,13H2,(H2,27,28,32,33)