4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: 4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenesulfonamide CAS Name: 4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrobenzenesulfonamide Traditional Name: 4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-benzenesulfonamide Formula: C9H9N5O4S3 MolecularWeight: 347.39386

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C9H9N5O4S3/c1-11-8-12-13-9(20-8)19-7-3-2-5(21(10,17)18)4-6(7)14(15)16/h2-4H,1H3,(H,11,12)(H2,10,17,18)