S-(1H-imidazol-2-ylmethyl) 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate

Systemtic Name: S-(1H-imidazol-2-ylmethyl) 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate Openeye Name: S-(1H-imidazol-2-ylmethyl) 3,5-ditert-butyl-4-hydroxy-benzenecarbothioate CAS Name: 3,5-ditert-butyl-4-hydroxybenzenecarbothioic acid S-(1H-imidazol-2-ylmethyl) ester IUPAC Name: S-(1H-imidazol-2-ylmethyl) 3,5-ditert-butyl-4-hydroxybenzenecarbothioate Traditional Name: 3,5-ditert-butyl-4-hydroxy-thiobenzoic acid S-(1H-imidazol-2-ylmethyl) ester Formula: C19H26N2O2S MolecularWeight: 346.48694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)SCC2=NC=CN2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)SCC2=NC=CN2

InChI

InChI=1S/C19H26N2O2S/c1-18(2,3)13-9-12(10-14(16(13)22)19(4,5)6)17(23)24-11-15-20-7-8-21-15/h7-10,22H,11H2,1-6H3,(H,20,21)