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

Systemtic Name: 3-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-(1-oxopropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoate IUPAC Name: 3-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[(5-propionamido-1,3,4-thiadiazol-2-yl)thio]methyl]benzoate Formula: C13H12N3O3S2- MolecularWeight: 322.38268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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