4-[(E)-[2-(1,3-benzothiazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-2,6-ditert-butyl-phenolate

Systemtic Name: 4-[(E)-[2-(1,3-benzothiazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-2,6-ditert-butyl-phenolate Openeye Name: 4-[(E)-[[2-(1,3-benzothiazol-3-ium-2-ylsulfanyl)acetyl]hydrazono]methyl]-2,6-ditert-butyl-phenolate CAS Name: 4-[(E)-[[2-(1,3-benzothiazol-3-ium-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]-2,6-ditert-butylphenolate IUPAC Name: 4-[(E)-[[2-(1,3-benzothiazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-2,6-ditert-butylphenolate Traditional Name: 4-[(E)-[[2-(1,3-benzothiazol-3-ium-2-ylthio)acetyl]hydrazono]methyl]-2,6-ditert-butyl-phenolate Formula: C24H29N3O2S2 MolecularWeight: 455.63596

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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=[NH+]C3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1[O-])C(C)(C)C)/C=N/NC(=O)CSC2=[NH+]C3=CC=CC=C3S2

InChI

InChI=1S/C24H29N3O2S2/c1-23(2,3)16-11-15(12-17(21(16)29)24(4,5)6)13-25-27-20(28)14-30-22-26-18-9-7-8-10-19(18)31-22/h7-13,29H,14H2,1-6H3,(H,27,28)/b25-13+