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

Systemtic Name: [4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1H-pyrrol-2-yl] thiocyanate Openeye Name: [4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1H-pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [4-(3,5-ditert-butyl-4-hydroxyphenyl)-1H-pyrrol-2-yl] ester IUPAC Name: [4-(3,5-ditert-butyl-4-hydroxyphenyl)-1H-pyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1H-pyrrol-2-yl] ester Formula: C19H24N2OS MolecularWeight: 328.47166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2OS/c1-18(2,3)14-7-12(8-15(17(14)22)19(4,5)6)13-9-16(21-10-13)23-11-20/h7-10,21-22H,1-6H3