2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone

Systemtic Name: 2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone Openeye Name: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone CAS Name: 2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone IUPAC Name: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone Traditional Name: 2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone Formula: C23H27ClN2O2S MolecularWeight: 430.99068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C23H27ClN2O2S/c1-22(2,3)15-9-13(10-16(20(15)28)23(4,5)6)19(27)12-29-21-25-17-8-7-14(24)11-18(17)26-21/h7-11,28H,12H2,1-6H3,(H,25,26)