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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCC2=CNC(=C2SC#N)SC#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCC2=CNC(=C2SC#N)SC#N

InChI

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