1-(4-tert-butylphenyl)-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanone

Systemtic Name: 1-(4-tert-butylphenyl)-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanone Openeye Name: 2-(2-benzylsulfanylbenzimidazol-1-yl)-1-(4-tert-butylphenyl)ethanone CAS Name: 1-(4-tert-butylphenyl)-2-[2-(phenylmethylthio)-1-benzimidazolyl]ethanone IUPAC Name: 2-(2-benzylsulfanylbenzimidazol-1-yl)-1-(4-tert-butylphenyl)ethanone Traditional Name: 2-[2-(benzylthio)benzimidazol-1-yl]-1-(4-tert-butylphenyl)ethanone Formula: C26H26N2OS MolecularWeight: 414.56244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4

InChI

InChI=1S/C26H26N2OS/c1-26(2,3)21-15-13-20(14-16-21)24(29)17-28-23-12-8-7-11-22(23)27-25(28)30-18-19-9-5-4-6-10-19/h4-16H,17-18H2,1-3H3