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

Systemtic Name: 5-phenyl-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid Openeye Name: 5-phenyl-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid CAS Name: 3-(3-mercapto-1-oxopropyl)-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylic acid IUPAC Name: 5-phenyl-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid Traditional Name: 3-(3-mercaptopropanoyl)-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylic acid Formula: C12H12N2O3S2 MolecularWeight: 296.36528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(S2)C(=O)O)C(=O)CCS

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(S2)C(=O)O)C(=O)CCS

InChI

InChI=1S/C12H12N2O3S2/c15-9(6-7-18)14-11(12(16)17)19-10(13-14)8-4-2-1-3-5-8/h1-5,11,18H,6-7H2,(H,16,17)