2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1-(4-ethoxyphenyl)benzimidazole

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1-(4-ethoxyphenyl)benzimidazole Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1-(4-ethoxyphenyl)benzimidazole CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-1-(4-ethoxyphenyl)benzimidazole IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-1-(4-ethoxyphenyl)benzimidazole Traditional Name: 2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-1-p-phenetyl-benzimidazole Formula: C28H32N2OS MolecularWeight: 444.63148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4C)C(C)(C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4C)C(C)(C)C)C

InChI

InChI=1S/C28H32N2OS/c1-7-31-23-14-12-22(13-15-23)30-26-11-9-8-10-25(26)29-27(30)32-18-24-19(2)16-21(17-20(24)3)28(4,5)6/h8-17H,7,18H2,1-6H3