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

Systemtic Name: 3-(4-ethylphenyl)-5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 3-(4-ethylphenyl)-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 3-(4-ethylphenyl)-5-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-ethylphenyl)-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-(4-ethylphenyl)-5-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-1,2,4-oxadiazole Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C16H15N3O2S/c1-2-12-6-8-13(9-7-12)16-17-14(21-18-16)11-22-15-5-3-4-10-19(15)20/h3-10H,2,11H2,1H3