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

Systemtic Name: 4-[[2-[[4-(4-chlorophenyl)-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoylhydrazinylidene]methyl]-2,6-dimethoxy-phenolate Openeye Name: 4-[[[2-[[4-(4-chlorophenyl)-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazono]methyl]-2,6-dimethoxy-phenolate CAS Name: 4-[[[2-[[4-(4-chlorophenyl)-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl]thio]-1-oxoethyl]hydrazinylidene]methyl]-2,6-dimethoxyphenolate IUPAC Name: 4-[[[2-[[4-(4-chlorophenyl)-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]-2,6-dimethoxyphenolate Traditional Name: 4-[[[2-[[4-(4-chlorophenyl)-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl]thio]acetyl]hydrazono]methyl]-2,6-dimethoxy-phenolate Formula: C25H22ClN5O4S MolecularWeight: 523.99128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])OC)C=NNC(=O)CSC2=NNC(=[N+]2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1[O-])OC)C=NNC(=O)CSC2=NNC(=[N+]2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H22ClN5O4S/c1-34-20-12-16(13-21(35-2)23(20)33)14-27-28-22(32)15-36-25-30-29-24(17-6-4-3-5-7-17)31(25)19-10-8-18(26)9-11-19/h3-14H,15H2,1-2H3,(H2,27,28,32,33)