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

Systemtic Name: [4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-1-methyl-pyrrol-2-yl] thiocyanate Openeye Name: [4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1-methyl-pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-1-methyl-2-pyrrolyl] ester IUPAC Name: [4-(3,5-ditert-butyl-4-hydroxybenzoyl)-1-methylpyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1-methyl-pyrrol-2-yl] ester Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2S/c1-20(2,3)15-8-13(9-16(19(15)25)21(4,5)6)18(24)14-10-17(26-12-22)23(7)11-14/h8-11,25H,1-7H3