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

Systemtic Name: 5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-3-phenyl-1,2,4-oxadiazole Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O2S/c18-17-9-5-4-8-13(17)20-10-12-15-14(16-19-12)11-6-2-1-3-7-11/h1-9H,10H2