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

Systemtic Name: 2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H17N3O5S/c1-22-12-8-11(9-13(23-2)16(12)24-3)17-19-18-14(25-17)10-26-15-6-4-5-7-20(15)21/h4-9H,10H2,1-3H3