2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-1-oxido-pyridin-1-ium CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-1-oxidopyridin-1-ium IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-1-oxidopyridin-1-ium Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-1-oxido-pyridin-1-ium Formula: C13H10BrNO3S MolecularWeight: 340.1924

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=CC=CC=[N+]3[O-])Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=CC=CC=[N+]3[O-])Br

InChI

InChI=1S/C13H10BrNO3S/c14-10-6-12-11(17-8-18-12)5-9(10)7-19-13-3-1-2-4-15(13)16/h1-6H,7-8H2