7-[(2Z)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-thiazin-4-yl]heptanenitrile

Systemtic Name: 7-[(2Z)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-thiazin-4-yl]heptanenitrile Openeye Name: 7-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-oxo-1,4-thiazin-4-yl]heptanenitrile CAS Name: 7-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-thiazin-4-yl]heptanenitrile IUPAC Name: 7-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-thiazin-4-yl]heptanenitrile Traditional Name: 7-[(2Z)-2-(3,5-ditert-butyl-4-hydroxy-benzylidene)-3-keto-1,4-thiazin-4-yl]enanthonitrile Formula: C26H36N2O2S MolecularWeight: 440.64124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)N(C=CS2)CCCCCCC#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)N(C=CS2)CCCCCCC#N

InChI

InChI=1S/C26H36N2O2S/c1-25(2,3)20-16-19(17-21(23(20)29)26(4,5)6)18-22-24(30)28(14-15-31-22)13-11-9-7-8-10-12-27/h14-18,29H,7-11,13H2,1-6H3/b22-18-