4-[[2-[(4,5-diphenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]ethanoylhydrazinylidene]methyl]phenolate

Systemtic Name: 4-[[2-[(4,5-diphenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 4-[[[2-[(4,5-diphenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]acetyl]hydrazono]methyl]phenolate CAS Name: 4-[[[2-[(4,5-diphenyl-1H-1,2,4-triazol-4-ium-3-yl)thio]-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 4-[[[2-[(4,5-diphenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 4-[[[2-[(4,5-diphenyl-1H-1,2,4-triazol-4-ium-3-yl)thio]acetyl]hydrazono]methyl]phenolate Formula: C23H19N5O2S MolecularWeight: 429.49426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N5O2S/c29-20-13-11-17(12-14-20)15-24-25-21(30)16-31-23-27-26-22(18-7-3-1-4-8-18)28(23)19-9-5-2-6-10-19/h1-15H,16H2,(H2,24,25,29,30)