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

Systemtic Name: 2,4-bis(bromanyl)-6-[[2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 2,4-dibromo-6-[[[2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazono]methyl]phenolate CAS Name: 2,4-dibromo-6-[[[2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazol-4-ium-3-yl]thio]-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2,4-dibromo-6-[[[2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 2,4-dibromo-6-[[[2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazol-4-ium-3-yl]thio]acetyl]hydrazono]methyl]phenolate Formula: C28H27Br2N5O3S MolecularWeight: 673.41868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27Br2N5O3S/c1-28(2,3)19-7-5-17(6-8-19)26-33-34-27(35(26)21-9-11-22(38-4)12-10-21)39-16-24(36)32-31-15-18-13-20(29)14-23(30)25(18)37/h5-15H,16H2,1-4H3,(H2,31,32,36,37)