[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H15N3O4S/c1-12-5-7-13(8-6-12)17-18-14(24-19-17)10-23-16(21)11-25-15-4-2-3-9-20(15)22/h2-9H,10-11H2,1H3