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

Systemtic Name: 2-[[2-[[5-(4-chlorophenyl)-4-ethyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoylhydrazinylidene]methyl]benzoic acid Openeye Name: 2-[[[2-[[5-(4-chlorophenyl)-4-ethyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazono]methyl]benzoic acid CAS Name: 2-[[[2-[[5-(4-chlorophenyl)-4-ethyl-1H-1,2,4-triazol-4-ium-3-yl]thio]-1-oxoethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 2-[[[2-[[5-(4-chlorophenyl)-4-ethyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 2-[[[2-[[5-(4-chlorophenyl)-4-ethyl-1H-1,2,4-triazol-4-ium-3-yl]thio]acetyl]hydrazono]methyl]benzoic acid Formula: C20H19ClN5O3S+ MolecularWeight: 444.91456

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NN=C1SCC(=O)NN=CC2=CC=CC=C2C(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC[N+]1=C(NN=C1SCC(=O)NN=CC2=CC=CC=C2C(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN5O3S/c1-2-26-18(13-7-9-15(21)10-8-13)24-25-20(26)30-12-17(27)23-22-11-14-5-3-4-6-16(14)19(28)29/h3-11H,2,12H2,1H3,(H2,23,27,28,29)/p+1