4-[[2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 4-[[2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[[[2-[[4-(4-chlorophenyl)-5-(p-tolyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazono]methyl]benzoic acid CAS Name: 4-[[[2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1H-1,2,4-triazol-4-ium-3-yl]thio]-1-oxoethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[[[2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[[[2-[[4-(4-chlorophenyl)-5-(p-tolyl)-1H-1,2,4-triazol-4-ium-3-yl]thio]acetyl]hydrazono]methyl]benzoic acid Formula: C25H21ClN5O3S+ MolecularWeight: 506.98394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](C(=NN2)SCC(=O)NN=CC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](C(=NN2)SCC(=O)NN=CC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H20ClN5O3S/c1-16-2-6-18(7-3-16)23-29-30-25(31(23)21-12-10-20(26)11-13-21)35-15-22(32)28-27-14-17-4-8-19(9-5-17)24(33)34/h2-14H,15H2,1H3,(H2,28,32,33,34)/p+1