2-[(4-tert-butylphenyl)methylsulfanyl]-6-chloranyl-1-(4-ethoxyphenyl)benzimidazole

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-chloranyl-1-(4-ethoxyphenyl)benzimidazole Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-chloro-1-(4-ethoxyphenyl)benzimidazole CAS Name: 2-[(4-tert-butylphenyl)methylthio]-6-chloro-1-(4-ethoxyphenyl)benzimidazole IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-chloro-1-(4-ethoxyphenyl)benzimidazole Traditional Name: 2-[(4-tert-butylbenzyl)thio]-6-chloro-1-p-phenetyl-benzimidazole Formula: C26H27ClN2OS MolecularWeight: 451.02338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=C(C=CC(=C3)Cl)N=C2SCC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=C(C=CC(=C3)Cl)N=C2SCC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H27ClN2OS/c1-5-30-22-13-11-21(12-14-22)29-24-16-20(27)10-15-23(24)28-25(29)31-17-18-6-8-19(9-7-18)26(2,3)4/h6-16H,5,17H2,1-4H3