(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5S/c21-16(11-26-14-8-6-13(7-9-14)20(22)23)24-10-15-18-17(19-25-15)12-4-2-1-3-5-12/h1-9H,10-11H2