S-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl] 3-nitrobenzenecarbothioate

Systemtic Name: S-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl] 3-nitrobenzenecarbothioate Openeye Name: S-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl] 3-nitrobenzenecarbothioate CAS Name: 3-nitrobenzenecarbothioic acid S-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl] ester IUPAC Name: S-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl] 3-nitrobenzenecarbothioate Traditional Name: 3-nitrothiobenzoic acid S-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl] ester Formula: C17H13N3O6S MolecularWeight: 387.36662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN=C(O2)SC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN=C(O2)SC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H13N3O6S/c1-24-12-6-7-13(14(9-12)25-2)15-18-19-17(26-15)27-16(21)10-4-3-5-11(8-10)20(22)23/h3-9H,1-2H3