3-[(3,4-ditert-butyl-5-methylsulfanyl-pyrrol-3-yl)methyl]phenol

Systemtic Name: 3-[(3,4-ditert-butyl-5-methylsulfanyl-pyrrol-3-yl)methyl]phenol Openeye Name: 3-[(3,4-ditert-butyl-5-methylsulfanyl-pyrrol-3-yl)methyl]phenol CAS Name: 3-[[3,4-ditert-butyl-5-(methylthio)-3-pyrrolyl]methyl]phenol IUPAC Name: 3-[(3,4-ditert-butyl-5-methylsulfanylpyrrol-3-yl)methyl]phenol Traditional Name: 3-[[3,4-ditert-butyl-5-(methylthio)pyrrol-3-yl]methyl]phenol Formula: C20H29NOS MolecularWeight: 331.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(N=CC1(CC2=CC(=CC=C2)O)C(C)(C)C)SC

Isomeric SMILES

CC(C)(C)C1=C(N=CC1(CC2=CC(=CC=C2)O)C(C)(C)C)SC

InChI

InChI=1S/C20H29NOS/c1-18(2,3)16-17(23-7)21-13-20(16,19(4,5)6)12-14-9-8-10-15(22)11-14/h8-11,13,22H,12H2,1-7H3