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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5S/c1-24-16(21)12-7-5-11(6-8-12)10-26-17-19-18-15(25-17)13-3-2-4-14(9-13)20(22)23/h2-9H,10H2,1H3