4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxylic acid

Systemtic Name: 4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxylic acid Openeye Name: 4-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-2-thioxo-1H-pyridine-3-carboxylic acid CAS Name: 4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxylic acid IUPAC Name: 4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxylic acid Traditional Name: 4-(3,5-ditert-butyl-4-hydroxy-benzyl)-2-thioxo-1H-pyridine-3-carboxylic acid Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=C(C(=S)NC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=C(C(=S)NC=C2)C(=O)O

InChI

InChI=1S/C21H27NO3S/c1-20(2,3)14-10-12(11-15(17(14)23)21(4,5)6)9-13-7-8-22-18(26)16(13)19(24)25/h7-8,10-11,23H,9H2,1-6H3,(H,22,26)(H,24,25)