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

Systemtic Name: [4-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propyl]-1H-pyrrol-3-yl] thiocyanate Openeye Name: [4-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propyl]-1H-pyrrol-3-yl] thiocyanate CAS Name: thiocyanic acid [4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-1H-pyrrol-3-yl] ester IUPAC Name: [4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-1H-pyrrol-3-yl] thiocyanate Traditional Name: thiocyanic acid [4-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propyl]-1H-pyrrol-3-yl] ester Formula: C22H30N2OS MolecularWeight: 370.5514

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2OS/c1-21(2,3)17-10-15(11-18(20(17)25)22(4,5)6)8-7-9-16-12-24-13-19(16)26-14-23/h10-13,24-25H,7-9H2,1-6H3