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

Systemtic Name: 2-methoxy-6-[[2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 2-methoxy-6-[[[2-[[4-(4-methoxyphenyl)-5-(p-tolyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazono]methyl]phenolate CAS Name: 2-methoxy-6-[[[2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-1,2,4-triazol-4-ium-3-yl]thio]-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-methoxy-6-[[[2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 2-methoxy-6-[[[2-[[4-(4-methoxyphenyl)-5-(p-tolyl)-1H-1,2,4-triazol-4-ium-3-yl]thio]acetyl]hydrazono]methyl]phenolate Formula: C26H25N5O4S MolecularWeight: 503.5728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5O4S/c1-17-7-9-18(10-8-17)25-29-30-26(31(25)20-11-13-21(34-2)14-12-20)36-16-23(32)28-27-15-19-5-4-6-22(35-3)24(19)33/h4-15H,16H2,1-3H3,(H2,27,28,32,33)