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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C(NN=C2SCC(=O)NN=CC3=CC=C(C=C3)[O-])C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C(NN=C2SCC(=O)NN=CC3=CC=C(C=C3)[O-])C4=CC=C(C=C4)OC

InChI

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