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

Systemtic Name: [3-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-1H-pyrrol-2-yl] thiocyanate Openeye Name: [3-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1H-pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [3-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-1H-pyrrol-2-yl] ester IUPAC Name: [3-(3,5-ditert-butyl-4-hydroxybenzoyl)-1H-pyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [3-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1H-pyrrol-2-yl] ester Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2S/c1-19(2,3)14-9-12(10-15(17(14)24)20(4,5)6)16(23)13-7-8-22-18(13)25-11-21/h7-10,22,24H,1-6H3