4,5-dimethoxy-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-nitro-benzamide

Systemtic Name: 4,5-dimethoxy-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-nitro-benzamide CAS Name: 4,5-dimethoxy-N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide Traditional Name: 4,5-dimethoxy-N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide Formula: C12H12N4O5S2 MolecularWeight: 356.37748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=NN=C(S2)SC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=NN=C(S2)SC)[N+](=O)[O-])OC

InChI

InChI=1S/C12H12N4O5S2/c1-20-8-4-6(7(16(18)19)5-9(8)21-2)10(17)13-11-14-15-12(22-3)23-11/h4-5H,1-3H3,(H,13,14,17)