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

Systemtic Name: [4-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoyl]-1H-pyrrol-3-yl] thiocyanate Openeye Name: [4-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyl]-1H-pyrrol-3-yl] thiocyanate CAS Name: thiocyanic acid [4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxopropyl]-1H-pyrrol-3-yl] ester IUPAC Name: [4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-1H-pyrrol-3-yl] thiocyanate Traditional Name: thiocyanic acid [4-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyl]-1H-pyrrol-3-yl] ester Formula: C22H28N2O2S MolecularWeight: 384.53492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)C2=CNC=C2SC#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)C2=CNC=C2SC#N

InChI

InChI=1S/C22H28N2O2S/c1-21(2,3)16-9-14(10-17(20(16)26)22(4,5)6)7-8-18(25)15-11-24-12-19(15)27-13-23/h9-12,24,26H,7-8H2,1-6H3