2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylsulfanyl]-1H-benzimidazole Openeye Name: 2-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butylsulfanyl]-1H-benzimidazole CAS Name: 2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylthio]-1H-benzimidazole IUPAC Name: 2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylsulfanyl]-1H-benzimidazole Traditional Name: 2-[4-(2,4-ditert-amylphenoxy)butylthio]-1H-benzimidazole Formula: C27H38N2OS MolecularWeight: 438.66842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCSC2=NC3=CC=CC=C3N2)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCSC2=NC3=CC=CC=C3N2)C(C)(C)CC

InChI

InChI=1S/C27H38N2OS/c1-7-26(3,4)20-15-16-24(21(19-20)27(5,6)8-2)30-17-11-12-18-31-25-28-22-13-9-10-14-23(22)29-25/h9-10,13-16,19H,7-8,11-12,17-18H2,1-6H3,(H,28,29)