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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methyl-1H-benzimidazole Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methyl-1H-benzimidazole CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-6-methyl-1H-benzimidazole IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methyl-1H-benzimidazole Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-6-methyl-1H-benzimidazole Formula: C16H13BrN2O2S MolecularWeight: 377.25562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C16H13BrN2O2S/c1-9-2-3-12-13(4-9)19-16(18-12)22-7-10-5-14-15(6-11(10)17)21-8-20-14/h2-6H,7-8H2,1H3,(H,18,19)