N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-(2-nitrophenyl)methanesulfonamide

Systemtic Name: N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-(2-nitrophenyl)methanesulfonamide Openeye Name: N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-(2-nitrophenyl)methanesulfonamide CAS Name: N-[5-(cyanomethylthio)-1,3,4-thiadiazol-2-yl]-1-(2-nitrophenyl)methanesulfonamide IUPAC Name: N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-(2-nitrophenyl)methanesulfonamide Traditional Name: N-[5-(cyanomethylthio)-1,3,4-thiadiazol-2-yl]-1-(2-nitrophenyl)methanesulfonamide Formula: C11H9N5O4S3 MolecularWeight: 371.41526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CS(=O)(=O)NC2=NN=C(S2)SCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CS(=O)(=O)NC2=NN=C(S2)SCC#N)[N+](=O)[O-]

InChI

InChI=1S/C11H9N5O4S3/c12-5-6-21-11-14-13-10(22-11)15-23(19,20)7-8-3-1-2-4-9(8)16(17)18/h1-4H,6-7H2,(H,13,15)