2,6-ditert-butyl-4-[3-(1-methyl-5-sulfanyl-pyrrol-3-yl)propyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[3-(1-methyl-5-sulfanyl-pyrrol-3-yl)propyl]phenol Openeye Name: 2,6-ditert-butyl-4-[3-(1-methyl-5-sulfanyl-pyrrol-3-yl)propyl]phenol CAS Name: 2,6-ditert-butyl-4-[3-(5-mercapto-1-methyl-3-pyrrolyl)propyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[3-(1-methyl-5-sulfanylpyrrol-3-yl)propyl]phenol Traditional Name: 2,6-ditert-butyl-4-[3-(5-mercapto-1-methyl-pyrrol-3-yl)propyl]phenol Formula: C22H33NOS MolecularWeight: 359.56852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCC2=CN(C(=C2)S)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCC2=CN(C(=C2)S)C

InChI

InChI=1S/C22H33NOS/c1-21(2,3)17-11-15(12-18(20(17)24)22(4,5)6)9-8-10-16-13-19(25)23(7)14-16/h11-14,24-25H,8-10H2,1-7H3