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

Systemtic Name: [4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-1-ethyl-2-thiocyanato-pyrrol-3-yl] thiocyanate Openeye Name: [4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1-ethyl-2-thiocyanato-pyrrol-3-yl] thiocyanate CAS Name: thiocyanic acid [4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-1-ethyl-2-thiocyanato-3-pyrrolyl] ester IUPAC Name: [4-(3,5-ditert-butyl-4-hydroxybenzoyl)-1-ethyl-2-thiocyanatopyrrol-3-yl] thiocyanate Traditional Name: thiocyanic acid [4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1-ethyl-2-thiocyanato-pyrrol-3-yl] ester Formula: C23H27N3O2S2 MolecularWeight: 441.60938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S2/c1-8-26-11-15(20(29-12-24)21(26)30-13-25)18(27)14-9-16(22(2,3)4)19(28)17(10-14)23(5,6)7/h9-11,28H,8H2,1-7H3