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

Systemtic Name: [4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanoyl]-1-methyl-pyrrol-2-yl] thiocyanate Openeye Name: [4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)acetyl]-1-methyl-pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxoethyl]-1-methyl-2-pyrrolyl] ester IUPAC Name: [4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)acetyl]-1-methylpyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)acetyl]-1-methyl-pyrrol-2-yl] ester Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S/c1-21(2,3)16-8-14(9-17(20(16)26)22(4,5)6)10-18(25)15-11-19(27-13-23)24(7)12-15/h8-9,11-12,26H,10H2,1-7H3