4-(1H-benzimidazol-2-ylsulfanylimino)-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylimino)-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylimino)-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: N-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-1H-benzimidazole-2-sulfenamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylimino)-2,6-ditert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-(1H-benzimidazol-2-ylthio)imino-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NSC2=NC3=CC=CC=C3N2)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=NSC2=NC3=CC=CC=C3N2)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C21H25N3OS/c1-20(2,3)14-11-13(12-15(18(14)25)21(4,5)6)24-26-19-22-16-9-7-8-10-17(16)23-19/h7-12H,1-6H3,(H,22,23)