(5E)-5-(4-chloranyl-3-nitro-phenyl)sulfonylimino-4-methyl-1,3,4-thiadiazole-2-sulfonamide

Systemtic Name: (5E)-5-(4-chloranyl-3-nitro-phenyl)sulfonylimino-4-methyl-1,3,4-thiadiazole-2-sulfonamide Openeye Name: (5E)-5-(4-chloro-3-nitro-phenyl)sulfonylimino-4-methyl-1,3,4-thiadiazole-2-sulfonamide CAS Name: (5E)-5-(4-chloro-3-nitrophenyl)sulfonylimino-4-methyl-1,3,4-thiadiazole-2-sulfonamide IUPAC Name: (5E)-5-(4-chloro-3-nitrophenyl)sulfonylimino-4-methyl-1,3,4-thiadiazole-2-sulfonamide Traditional Name: (5E)-5-(4-chloro-3-nitro-phenyl)sulfonylimino-4-methyl-1,3,4-thiadiazole-2-sulfonamide Formula: C9H8ClN5O6S3 MolecularWeight: 413.83772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])SC(=N1)S(=O)(=O)N

Isomeric SMILES

CN1/C(=N\S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])/SC(=N1)S(=O)(=O)N

InChI

InChI=1S/C9H8ClN5O6S3/c1-14-8(22-9(12-14)23(11,18)19)13-24(20,21)5-2-3-6(10)7(4-5)15(16)17/h2-4H,1H3,(H2,11,18,19)/b13-8+