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

Systemtic Name: [4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanoyl]-1-(phenylmethyl)pyrrol-2-yl] thiocyanate Openeye Name: [1-benzyl-4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)acetyl]pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxoethyl]-1-(phenylmethyl)-2-pyrrolyl] ester IUPAC Name: [1-benzyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)acetyl]pyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [1-benzyl-4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)acetyl]pyrrol-2-yl] ester Formula: C28H32N2O2S MolecularWeight: 460.63088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)C2=CN(C(=C2)SC#N)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)C2=CN(C(=C2)SC#N)CC3=CC=CC=C3

InChI

InChI=1S/C28H32N2O2S/c1-27(2,3)22-12-20(13-23(26(22)32)28(4,5)6)14-24(31)21-15-25(33-18-29)30(17-21)16-19-10-8-7-9-11-19/h7-13,15,17,32H,14,16H2,1-6H3