3-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propyl]-4-sulfanylidene-pyrrole-2-carbonitrile

Systemtic Name: 3-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propyl]-4-sulfanylidene-pyrrole-2-carbonitrile Openeye Name: 3-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propyl]-4-thioxo-pyrrole-2-carbonitrile CAS Name: 3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-4-sulfanylidene-2-pyrrolecarbonitrile IUPAC Name: 3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-4-sulfanylidenepyrrole-2-carbonitrile Traditional Name: 3-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propyl]-4-thioxo-pyrrole-2-carbonitrile Formula: C22H28N2OS MolecularWeight: 368.53552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCC2=C(N=CC2=S)C#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCC2=C(N=CC2=S)C#N

InChI

InChI=1S/C22H28N2OS/c1-21(2,3)16-10-14(11-17(20(16)25)22(4,5)6)8-7-9-15-18(12-23)24-13-19(15)26/h10-11,13,25H,7-9H2,1-6H3