4-[benzotriazol-1-ylmethylsulfanyl(sulfanyl)methylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[benzotriazol-1-ylmethylsulfanyl(sulfanyl)methylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[benzotriazol-1-ylmethylsulfanyl(sulfanyl)methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[(1-benzotriazolylmethylthio)-mercaptomethylidene]-2,6-ditert-butyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-[benzotriazol-1-ylmethylsulfanyl(sulfanyl)methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-[(benzotriazol-1-ylmethylthio)-mercapto-methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C22H27N3OS2 MolecularWeight: 413.59928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S)SCN2C3=CC=CC=C3N=N2)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(S)SCN2C3=CC=CC=C3N=N2)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C22H27N3OS2/c1-21(2,3)15-11-14(12-16(19(15)26)22(4,5)6)20(27)28-13-25-18-10-8-7-9-17(18)23-24-25/h7-12,27H,13H2,1-6H3