5-chloranyl-N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-benzenesulfonamide

Systemtic Name: 5-chloranyl-N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-benzenesulfonamide Openeye Name: 5-chloro-N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-benzenesulfonamide CAS Name: 5-chloro-N-[5-(cyanomethylthio)-1,3,4-thiadiazol-2-yl]-2-methoxybenzenesulfonamide IUPAC Name: 5-chloro-N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzenesulfonamide Traditional Name: 5-chloro-N-[5-(cyanomethylthio)-1,3,4-thiadiazol-2-yl]-2-methoxy-benzenesulfonamide Formula: C11H9ClN4O3S3 MolecularWeight: 376.86216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)S(=O)(=O)NC2=NN=C(S2)SCC#N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)S(=O)(=O)NC2=NN=C(S2)SCC#N

InChI

InChI=1S/C11H9ClN4O3S3/c1-19-8-3-2-7(12)6-9(8)22(17,18)16-10-14-15-11(21-10)20-5-4-13/h2-3,6H,5H2,1H3,(H,14,16)