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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-6-ethoxy-1H-benzimidazole Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-6-ethoxy-1H-benzimidazole CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-6-ethoxy-1H-benzimidazole IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-6-ethoxy-1H-benzimidazole Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-6-ethoxy-1H-benzimidazole Formula: C17H15BrN2O3S MolecularWeight: 407.2816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C17H15BrN2O3S/c1-2-21-11-3-4-13-14(6-11)20-17(19-13)24-8-10-5-15-16(7-12(10)18)23-9-22-15/h3-7H,2,8-9H2,1H3,(H,19,20)