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

Systemtic Name: [3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-methyl-4-propanoyl-pyrrol-2-yl] thiocyanate Openeye Name: [3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-methyl-4-propanoyl-pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methyl-4-(1-oxopropyl)-2-pyrrolyl] ester IUPAC Name: [3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methyl-4-propanoylpyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-methyl-4-propionyl-pyrrol-2-yl] ester Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CN(C(=C1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SC#N)C

Isomeric SMILES

CCC(=O)C1=CN(C(=C1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SC#N)C

InChI

InChI=1S/C23H30N2O2S/c1-9-18(26)15-12-25(8)21(28-13-24)19(15)14-10-16(22(2,3)4)20(27)17(11-14)23(5,6)7/h10-12,27H,9H2,1-8H3