2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfonyl]-1H-imidazo[4,5-b]pyridine

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfonyl]-1H-imidazo[4,5-b]pyridine Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfonyl]-1H-imidazo[4,5-b]pyridine CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfonyl]-1H-imidazo[4,5-b]pyridine IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfonyl]-1H-imidazo[4,5-b]pyridine Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfonyl]-1H-imidazo[4,5-b]pyridine Formula: C14H10BrN3O4S MolecularWeight: 396.2159

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CS(=O)(=O)C3=NC4=C(N3)C=CC=N4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CS(=O)(=O)C3=NC4=C(N3)C=CC=N4)Br

InChI

InChI=1S/C14H10BrN3O4S/c15-9-5-12-11(21-7-22-12)4-8(9)6-23(19,20)14-17-10-2-1-3-16-13(10)18-14/h1-5H,6-7H2,(H,16,17,18)