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

Systemtic Name: [4-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propyl]-1-methyl-pyrrol-2-yl] thiocyanate Openeye Name: [4-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propyl]-1-methyl-pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-1-methyl-2-pyrrolyl] ester IUPAC Name: [4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-1-methylpyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [4-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propyl]-1-methyl-pyrrol-2-yl] ester Formula: C23H32N2OS MolecularWeight: 384.57798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCC2=CN(C(=C2)SC#N)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCC2=CN(C(=C2)SC#N)C

InChI

InChI=1S/C23H32N2OS/c1-22(2,3)18-11-16(12-19(21(18)26)23(4,5)6)9-8-10-17-13-20(27-15-24)25(7)14-17/h11-14,26H,8-10H2,1-7H3