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

Systemtic Name: [4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-1-ethyl-pyrrol-2-yl] thiocyanate Openeye Name: [4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1-ethyl-pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-1-ethyl-2-pyrrolyl] ester IUPAC Name: [4-(3,5-ditert-butyl-4-hydroxybenzoyl)-1-ethylpyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1-ethyl-pyrrol-2-yl] ester Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=C1SC#N)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCN1C=C(C=C1SC#N)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C22H28N2O2S/c1-8-24-12-15(11-18(24)27-13-23)19(25)14-9-16(21(2,3)4)20(26)17(10-14)22(5,6)7/h9-12,26H,8H2,1-7H3