4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-1-ethyl-3-sulfanylidene-2H-pyrrole-5-carbonitrile

Systemtic Name: 4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-1-ethyl-3-sulfanylidene-2H-pyrrole-5-carbonitrile Openeye Name: 4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1-ethyl-3-thioxo-2H-pyrrole-5-carbonitrile CAS Name: 4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-1-ethyl-3-sulfanylidene-2H-pyrrole-5-carbonitrile IUPAC Name: 4-(3,5-ditert-butyl-4-hydroxybenzoyl)-1-ethyl-3-sulfanylidene-2H-pyrrole-5-carbonitrile Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1-ethyl-4-thioxo-2-pyrroline-2-carbonitrile Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(=S)C(=C1C#N)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCN1CC(=S)C(=C1C#N)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C22H28N2O2S/c1-8-24-12-17(27)18(16(24)11-23)19(25)13-9-14(21(2,3)4)20(26)15(10-13)22(5,6)7/h9-10,26H,8,12H2,1-7H3