4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thio]methyl]benzoate IUPAC Name: 4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]thio]methyl]benzoate Formula: C17H13N2O3S- MolecularWeight: 325.36172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)SCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)SCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H14N2O3S/c1-11-2-6-13(7-3-11)15-18-17(22-19-15)23-10-12-4-8-14(9-5-12)16(20)21/h2-9H,10H2,1H3,(H,20,21)/p-1