2-[3-(5-methyl-2-propan-2-yl-phenoxy)propylsulfanylmethyl]-1H-benzimidazole

Systemtic Name: 2-[3-(5-methyl-2-propan-2-yl-phenoxy)propylsulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[3-(2-isopropyl-5-methyl-phenoxy)propylsulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[3-(5-methyl-2-propan-2-ylphenoxy)propylthio]methyl]-1H-benzimidazole IUPAC Name: 2-[3-(5-methyl-2-propan-2-ylphenoxy)propylsulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[3-(2-isopropyl-5-methyl-phenoxy)propylthio]methyl]-1H-benzimidazole Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCCCSCC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCCCSCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H26N2OS/c1-15(2)17-10-9-16(3)13-20(17)24-11-6-12-25-14-21-22-18-7-4-5-8-19(18)23-21/h4-5,7-10,13,15H,6,11-12,14H2,1-3H3,(H,22,23)