3-[bis(propylsulfanyl)methyl]-1,2-dimethyl-4-phenoxy-2H-benzimidazole hydrochloride

Systemtic Name: 3-[bis(propylsulfanyl)methyl]-1,2-dimethyl-4-phenoxy-2H-benzimidazole hydrochloride Openeye Name: 3-[bis(propylsulfanyl)methyl]-1,2-dimethyl-4-phenoxy-2H-benzimidazole hydrochloride CAS Name: 3-[bis(propylthio)methyl]-1,2-dimethyl-4-phenoxy-2H-benzimidazole hydrochloride IUPAC Name: 3-[bis(propylsulfanyl)methyl]-1,2-dimethyl-4-phenoxy-2H-benzimidazole hydrochloride Traditional Name: 3-[bis(propylthio)methyl]-1,2-dimethyl-4-phenoxy-2H-benzimidazole hydrochloride Formula: C22H31ClN2OS2 MolecularWeight: 439.07734

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(N1C(N(C2=C1C(=CC=C2)OC3=CC=CC=C3)C)C)SCCC.Cl

Isomeric SMILES

CCCSC(N1C(N(C2=C1C(=CC=C2)OC3=CC=CC=C3)C)C)SCCC.Cl

InChI

InChI=1S/C22H30N2OS2.ClH/c1-5-15-26-22(27-16-6-2)24-17(3)23(4)19-13-10-14-20(21(19)24)25-18-11-8-7-9-12-18;/h7-14,17,22H,5-6,15-16H2,1-4H3;1H