S-(pyridin-3-ylmethyl) 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate

Systemtic Name: S-(pyridin-3-ylmethyl) 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate Openeye Name: S-(3-pyridylmethyl) 3,5-ditert-butyl-4-hydroxy-benzenecarbothioate CAS Name: 3,5-ditert-butyl-4-hydroxybenzenecarbothioic acid S-(3-pyridinylmethyl) ester IUPAC Name: S-(pyridin-3-ylmethyl) 3,5-ditert-butyl-4-hydroxybenzenecarbothioate Traditional Name: 3,5-ditert-butyl-4-hydroxy-thiobenzoic acid S-(3-pyridylmethyl) ester Formula: C21H27NO2S MolecularWeight: 357.50958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)SCC2=CN=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)SCC2=CN=CC=C2

InChI

InChI=1S/C21H27NO2S/c1-20(2,3)16-10-15(11-17(18(16)23)21(4,5)6)19(24)25-13-14-8-7-9-22-12-14/h7-12,23H,13H2,1-6H3