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

Systemtic Name: [4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-1-propan-2-yl-2-thiocyanato-pyrrol-3-yl] thiocyanate Openeye Name: [4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1-isopropyl-2-thiocyanato-pyrrol-3-yl] thiocyanate CAS Name: thiocyanic acid [4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-1-propan-2-yl-2-thiocyanato-3-pyrrolyl] ester IUPAC Name: [4-(3,5-ditert-butyl-4-hydroxybenzoyl)-1-propan-2-yl-2-thiocyanatopyrrol-3-yl] thiocyanate Traditional Name: thiocyanic acid [4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1-isopropyl-2-thiocyanato-pyrrol-3-yl] ester Formula: C24H29N3O2S2 MolecularWeight: 455.63596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=C1SC#N)SC#N)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(C)N1C=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/C24H29N3O2S2/c1-14(2)27-11-16(21(30-12-25)22(27)31-13-26)19(28)15-9-17(23(3,4)5)20(29)18(10-15)24(6,7)8/h9-11,14,29H,1-8H3