(3,5-ditert-butyl-4-oxidanyl-phenyl)-(1-propan-2-yl-5-sulfanyl-pyrrol-3-yl)methanone

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)-(1-propan-2-yl-5-sulfanyl-pyrrol-3-yl)methanone Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-(1-isopropyl-5-sulfanyl-pyrrol-3-yl)methanone CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)-(5-mercapto-1-propan-2-yl-3-pyrrolyl)methanone IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)-(1-propan-2-yl-5-sulfanylpyrrol-3-yl)methanone Traditional Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-(1-isopropyl-5-mercapto-pyrrol-3-yl)methanone Formula: C22H31NO2S MolecularWeight: 373.55204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=C1S)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(C)N1C=C(C=C1S)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C22H31NO2S/c1-13(2)23-12-15(11-18(23)26)19(24)14-9-16(21(3,4)5)20(25)17(10-14)22(6,7)8/h9-13,25-26H,1-8H3