2,6-ditert-butyl-4-[[2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]ethanoylhydrazinylidene]methyl]phenolate

Systemtic Name: 2,6-ditert-butyl-4-[[2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 2,6-ditert-butyl-4-[[[2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]acetyl]hydrazono]methyl]phenolate CAS Name: 2,6-ditert-butyl-4-[[[2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)thio]-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2,6-ditert-butyl-4-[[[2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 2,6-ditert-butyl-4-[[[2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)thio]acetyl]hydrazono]methyl]phenolate Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1[O-])C(C)(C)C)C=NNC(=O)CSC2=[N+](C=NN2)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1[O-])C(C)(C)C)C=NNC(=O)CSC2=[N+](C=NN2)C

InChI

InChI=1S/C20H29N5O2S/c1-19(2,3)14-8-13(9-15(17(14)27)20(4,5)6)10-21-23-16(26)11-28-18-24-22-12-25(18)7/h8-10,12H,11H2,1-7H3,(H2,21,23,26,27)