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

Systemtic Name: 2-[[2-[(4,5-diphenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]ethanoylhydrazinylidene]methyl]-6-ethoxy-phenolate Openeye Name: 2-[[[2-[(4,5-diphenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]acetyl]hydrazono]methyl]-6-ethoxy-phenolate CAS Name: 2-[[[2-[(4,5-diphenyl-1H-1,2,4-triazol-4-ium-3-yl)thio]-1-oxoethyl]hydrazinylidene]methyl]-6-ethoxyphenolate IUPAC Name: 2-[[[2-[(4,5-diphenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]-6-ethoxyphenolate Traditional Name: 2-[[[2-[(4,5-diphenyl-1H-1,2,4-triazol-4-ium-3-yl)thio]acetyl]hydrazono]methyl]-6-ethoxy-phenolate Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1[O-])C=NNC(=O)CSC2=NNC(=[N+]2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC(=C1[O-])C=NNC(=O)CSC2=NNC(=[N+]2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H23N5O3S/c1-2-33-21-15-9-12-19(23(21)32)16-26-27-22(31)17-34-25-29-28-24(18-10-5-3-6-11-18)30(25)20-13-7-4-8-14-20/h3-16H,2,17H2,1H3,(H2,26,27,31,32)