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

Systemtic Name: [4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-1-propan-2-yl-pyrrol-2-yl] thiocyanate Openeye Name: [4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1-isopropyl-pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-1-propan-2-yl-2-pyrrolyl] ester IUPAC Name: [4-(3,5-ditert-butyl-4-hydroxybenzoyl)-1-propan-2-ylpyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1-isopropyl-pyrrol-2-yl] ester Formula: C23H30N2O2S MolecularWeight: 398.5615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=C1SC#N)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(C)N1C=C(C=C1SC#N)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C23H30N2O2S/c1-14(2)25-12-16(11-19(25)28-13-24)20(26)15-9-17(22(3,4)5)21(27)18(10-15)23(6,7)8/h9-12,14,27H,1-8H3