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

Systemtic Name: 3-(2,4-dimethoxyphenyl)-5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 3-(2,4-dimethoxyphenyl)-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 3-(2,4-dimethoxyphenyl)-5-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(2,4-dimethoxyphenyl)-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-(2,4-dimethoxyphenyl)-5-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-1,2,4-oxadiazole Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NOC(=N2)CSC3=CC=CC=[N+]3[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NOC(=N2)CSC3=CC=CC=[N+]3[O-])OC

InChI

InChI=1S/C16H15N3O4S/c1-21-11-6-7-12(13(9-11)22-2)16-17-14(23-18-16)10-24-15-5-3-4-8-19(15)20/h3-9H,10H2,1-2H3