2-[(3-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-benzimidazole

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-benzimidazole Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-1-(p-tolylsulfonyl)benzimidazole CAS Name: 2-[(3-bromophenyl)methylthio]-1-(4-methylphenyl)sulfonylbenzimidazole IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonylbenzimidazole Traditional Name: 2-[(3-bromobenzyl)thio]-1-tosyl-benzimidazole Formula: C21H17BrN2O2S2 MolecularWeight: 473.40588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H17BrN2O2S2/c1-15-9-11-18(12-10-15)28(25,26)24-20-8-3-2-7-19(20)23-21(24)27-14-16-5-4-6-17(22)13-16/h2-13H,14H2,1H3