(2E)-2-(dimethylcarbamoylimino)-5-propylsulfonyl-1,3,4-thiadiazole-3-carboxylic acid

Systemtic Name: (2E)-2-(dimethylcarbamoylimino)-5-propylsulfonyl-1,3,4-thiadiazole-3-carboxylic acid Openeye Name: (2E)-2-(dimethylcarbamoylimino)-5-propylsulfonyl-1,3,4-thiadiazole-3-carboxylic acid CAS Name: (2E)-2-[dimethylamino(oxo)methyl]imino-5-propylsulfonyl-1,3,4-thiadiazole-3-carboxylic acid IUPAC Name: (2E)-2-(dimethylcarbamoylimino)-5-propylsulfonyl-1,3,4-thiadiazole-3-carboxylic acid Traditional Name: (2E)-2-(dimethylcarbamoylimino)-5-propylsulfonyl-1,3,4-thiadiazole-3-carboxylic acid Formula: C9H14N4O5S2 MolecularWeight: 322.36126

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NN(C(=NC(=O)N(C)C)S1)C(=O)O

Isomeric SMILES

CCCS(=O)(=O)C1=NN(/C(=N\C(=O)N(C)C)/S1)C(=O)O

InChI

InChI=1S/C9H14N4O5S2/c1-4-5-20(17,18)8-11-13(9(15)16)7(19-8)10-6(14)12(2)3/h4-5H2,1-3H3,(H,15,16)/b10-7+