1-[3-(2,6-dimethylphenoxy)propyl]-2-[phenyl(phenylsulfanyl)methyl]benzimidazole

Systemtic Name: 1-[3-(2,6-dimethylphenoxy)propyl]-2-[phenyl(phenylsulfanyl)methyl]benzimidazole Openeye Name: 1-[3-(2,6-dimethylphenoxy)propyl]-2-[phenyl(phenylsulfanyl)methyl]benzimidazole CAS Name: 1-[3-(2,6-dimethylphenoxy)propyl]-2-[phenyl-(phenylthio)methyl]benzimidazole IUPAC Name: 1-[3-(2,6-dimethylphenoxy)propyl]-2-[phenyl(phenylsulfanyl)methyl]benzimidazole Traditional Name: 1-[3-(2,6-dimethylphenoxy)propyl]-2-[phenyl-(phenylthio)methyl]benzimidazole Formula: C31H30N2OS MolecularWeight: 478.6477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCCN2C3=CC=CC=C3N=C2C(C4=CC=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCCN2C3=CC=CC=C3N=C2C(C4=CC=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C31H30N2OS/c1-23-13-11-14-24(2)29(23)34-22-12-21-33-28-20-10-9-19-27(28)32-31(33)30(25-15-5-3-6-16-25)35-26-17-7-4-8-18-26/h3-11,13-20,30H,12,21-22H2,1-2H3