N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitro-benzamide

Systemtic Name: N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitro-benzamide Openeye Name: N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitro-benzamide CAS Name: N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitrobenzamide IUPAC Name: N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitrobenzamide Traditional Name: N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitro-benzamide Formula: C17H13N5O7S MolecularWeight: 431.37942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN=C(S2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN=C(S2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C17H13N5O7S/c1-28-10-4-6-12(14(8-10)29-2)16-19-20-17(30-16)18-15(23)11-5-3-9(21(24)25)7-13(11)22(26)27/h3-8H,1-2H3,(H,18,20,23)