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

Systemtic Name: [4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-1-ethyl-2-thiocyanato-pyrrol-3-yl] thiocyanate Openeye Name: [4-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-1-ethyl-2-thiocyanato-pyrrol-3-yl] thiocyanate CAS Name: thiocyanic acid [4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1-ethyl-2-thiocyanato-3-pyrrolyl] ester IUPAC Name: [4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1-ethyl-2-thiocyanatopyrrol-3-yl] thiocyanate Traditional Name: thiocyanic acid [4-(3,5-ditert-butyl-4-hydroxy-benzyl)-1-ethyl-2-thiocyanato-pyrrol-3-yl] ester Formula: C23H29N3OS2 MolecularWeight: 427.62586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3OS2/c1-8-26-12-16(20(28-13-24)21(26)29-14-25)9-15-10-17(22(2,3)4)19(27)18(11-15)23(5,6)7/h10-12,27H,8-9H2,1-7H3