5-methyl-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid

Systemtic Name: 5-methyl-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid Openeye Name: 5-methyl-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid CAS Name: 3-(3-mercapto-1-oxopropyl)-5-methyl-2H-1,3,4-thiadiazole-2-carboxylic acid IUPAC Name: 5-methyl-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid Traditional Name: 3-(3-mercaptopropanoyl)-5-methyl-2H-1,3,4-thiadiazole-2-carboxylic acid Formula: C7H10N2O3S2 MolecularWeight: 234.2959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(S1)C(=O)O)C(=O)CCS

Isomeric SMILES

CC1=NN(C(S1)C(=O)O)C(=O)CCS

InChI

InChI=1S/C7H10N2O3S2/c1-4-8-9(5(10)2-3-13)6(14-4)7(11)12/h6,13H,2-3H2,1H3,(H,11,12)