2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-[2-(4-methyl-2-propan-2-yl-phenoxy)ethyl]benzimidazole

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-[2-(4-methyl-2-propan-2-yl-phenoxy)ethyl]benzimidazole Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-[2-(2-isopropyl-4-methyl-phenoxy)ethyl]benzimidazole CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-1-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-1-[2-(2-isopropyl-4-methyl-phenoxy)ethyl]benzimidazole Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCN2C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5N4)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCN2C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5N4)C(C)C

InChI

InChI=1S/C27H28N4OS/c1-18(2)20-16-19(3)12-13-25(20)32-15-14-31-24-11-7-6-10-23(24)30-27(31)33-17-26-28-21-8-4-5-9-22(21)29-26/h4-13,16,18H,14-15,17H2,1-3H3,(H,28,29)