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

Systemtic Name: [4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanoyl]-1-ethyl-2-thiocyanato-pyrrol-3-yl] thiocyanate Openeye Name: [4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)acetyl]-1-ethyl-2-thiocyanato-pyrrol-3-yl] thiocyanate CAS Name: thiocyanic acid [4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxoethyl]-1-ethyl-2-thiocyanato-3-pyrrolyl] ester IUPAC Name: [4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)acetyl]-1-ethyl-2-thiocyanatopyrrol-3-yl] thiocyanate Traditional Name: thiocyanic acid [4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)acetyl]-1-ethyl-2-thiocyanato-pyrrol-3-yl] ester Formula: C24H29N3O2S2 MolecularWeight: 455.63596

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=C1SC#N)SC#N)C(=O)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCN1C=C(C(=C1SC#N)SC#N)C(=O)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C24H29N3O2S2/c1-8-27-12-16(21(30-13-25)22(27)31-14-26)19(28)11-15-9-17(23(2,3)4)20(29)18(10-15)24(5,6)7/h9-10,12,29H,8,11H2,1-7H3