S-pyridin-2-yl 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate

Systemtic Name: S-pyridin-2-yl 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate Openeye Name: S-(2-pyridyl) 3,5-ditert-butyl-4-hydroxy-benzenecarbothioate CAS Name: 3,5-ditert-butyl-4-hydroxybenzenecarbothioic acid S-(2-pyridinyl) ester IUPAC Name: S-pyridin-2-yl 3,5-ditert-butyl-4-hydroxybenzenecarbothioate Traditional Name: 3,5-ditert-butyl-4-hydroxy-thiobenzoic acid S-(2-pyridyl) ester Formula: C20H25NO2S MolecularWeight: 343.483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)SC2=CC=CC=N2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)SC2=CC=CC=N2

InChI

InChI=1S/C20H25NO2S/c1-19(2,3)14-11-13(12-15(17(14)22)20(4,5)6)18(23)24-16-9-7-8-10-21-16/h7-12,22H,1-6H3