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

Systemtic Name: 3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: 3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(5-acetamido-1,3,4-thiadiazol-2-yl)thio]methyl]benzoate IUPAC Name: 3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(5-acetamido-1,3,4-thiadiazol-2-yl)thio]methyl]benzoate Formula: C12H10N3O3S2- MolecularWeight: 308.3561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O3S2/c1-7(16)13-11-14-15-12(20-11)19-6-8-3-2-4-9(5-8)10(17)18/h2-5H,6H2,1H3,(H,17,18)(H,13,14,16)/p-1