2-(2-bromophenyl)-5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1,3,4-oxadiazole

Systemtic Name: 2-(2-bromophenyl)-5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1,3,4-oxadiazole Openeye Name: 2-(2-bromophenyl)-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,3,4-oxadiazole CAS Name: 2-(2-bromophenyl)-5-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1,3,4-oxadiazole IUPAC Name: 2-(2-bromophenyl)-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,3,4-oxadiazole Traditional Name: 2-(2-bromophenyl)-5-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-1,3,4-oxadiazole Formula: C14H10BrN3O2S MolecularWeight: 364.2171

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NN=C(O2)CSC3=CC=CC=[N+]3[O-])Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NN=C(O2)CSC3=CC=CC=[N+]3[O-])Br

InChI

InChI=1S/C14H10BrN3O2S/c15-11-6-2-1-5-10(11)14-17-16-12(20-14)9-21-13-7-3-4-8-18(13)19/h1-8H,9H2