[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-1-methyl-pyrrol-2-yl] thiocyanate

Systemtic Name: [4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-1-methyl-pyrrol-2-yl] thiocyanate Openeye Name: [4-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-1-methyl-pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1-methyl-2-pyrrolyl] ester IUPAC Name: [4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1-methylpyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [4-(3,5-ditert-butyl-4-hydroxy-benzyl)-1-methyl-pyrrol-2-yl] ester Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=CN(C(=C2)SC#N)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=CN(C(=C2)SC#N)C

InChI

InChI=1S/C21H28N2OS/c1-20(2,3)16-9-14(10-17(19(16)24)21(4,5)6)8-15-11-18(25-13-22)23(7)12-15/h9-12,24H,8H2,1-7H3