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

Systemtic Name: 4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-1-methyl-3-sulfanylidene-2H-pyrrole-5-carbonitrile Openeye Name: 4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1-methyl-3-thioxo-2H-pyrrole-5-carbonitrile CAS Name: 4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-1-methyl-3-sulfanylidene-2H-pyrrole-5-carbonitrile IUPAC Name: 4-(3,5-ditert-butyl-4-hydroxybenzoyl)-1-methyl-3-sulfanylidene-2H-pyrrole-5-carbonitrile Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1-methyl-4-thioxo-2-pyrroline-2-carbonitrile Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=C(N(CC2=S)C)C#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=C(N(CC2=S)C)C#N

InChI

InChI=1S/C21H26N2O2S/c1-20(2,3)13-8-12(9-14(19(13)25)21(4,5)6)18(24)17-15(10-22)23(7)11-16(17)26/h8-9,25H,11H2,1-7H3