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

Systemtic Name: [4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-1H-pyrrol-2-yl] thiocyanate Openeye Name: [4-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-1H-pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1H-pyrrol-2-yl] ester IUPAC Name: [4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1H-pyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [4-(3,5-ditert-butyl-4-hydroxy-benzyl)-1H-pyrrol-2-yl] ester Formula: C20H26N2OS MolecularWeight: 342.49824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=CNC(=C2)SC#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=CNC(=C2)SC#N

InChI

InChI=1S/C20H26N2OS/c1-19(2,3)15-8-13(9-16(18(15)23)20(4,5)6)7-14-10-17(22-11-14)24-12-21/h8-11,22-23H,7H2,1-6H3