2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-6-chloranyl-1H-benzimidazole

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-6-chloranyl-1H-benzimidazole Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-6-chloro-1H-benzimidazole CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-6-chloro-1H-benzimidazole IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-6-chloro-1H-benzimidazole Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-6-chloro-1H-benzimidazole Formula: C15H10BrClN2O2S MolecularWeight: 397.6741

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NC4=C(N3)C=C(C=C4)Cl)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NC4=C(N3)C=C(C=C4)Cl)Br

InChI

InChI=1S/C15H10BrClN2O2S/c16-10-5-14-13(20-7-21-14)3-8(10)6-22-15-18-11-2-1-9(17)4-12(11)19-15/h1-5H,6-7H2,(H,18,19)