4-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-(1-oxopropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[(5-propionamido-1,3,4-thiadiazol-2-yl)thio]methyl]benzoic acid Formula: C13H13N3O3S2 MolecularWeight: 323.39062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H13N3O3S2/c1-2-10(17)14-12-15-16-13(21-12)20-7-8-3-5-9(6-4-8)11(18)19/h3-6H,2,7H2,1H3,(H,18,19)(H,14,15,17)