3-[[2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethanoyl]hydrazinyl]methylidene]indole-7-carboxylic acid

Systemtic Name: 3-[[2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethanoyl]hydrazinyl]methylidene]indole-7-carboxylic acid Openeye Name: 3-[[2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylacetyl]hydrazino]methylene]indole-7-carboxylic acid CAS Name: 3-[[[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-oxoethyl]hydrazo]methylidene]-7-indolecarboxylic acid IUPAC Name: 3-[[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylacetyl]hydrazinyl]methylidene]indole-7-carboxylic acid Traditional Name: 3-[[N'-[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]acetyl]hydrazino]methylene]indole-7-carboxylic acid Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(=O)NNC=C2C=NC3=C2C=CC=C3C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(=O)NNC=C2C=NC3=C2C=CC=C3C(=O)O

InChI

InChI=1S/C26H31N3O4S/c1-25(2,3)19-10-16(11-20(23(19)31)26(4,5)6)34-14-21(30)29-28-13-15-12-27-22-17(15)8-7-9-18(22)24(32)33/h7-13,28,31H,14H2,1-6H3,(H,29,30)(H,32,33)