2-[[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(1-methyl-5-nitro-2-imidazolyl)-1,3,4-thiadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]thio]acetic acid Formula: C8H7N5O4S2 MolecularWeight: 301.30228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C2=NN=C(S2)SCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C2=NN=C(S2)SCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H7N5O4S2/c1-12-4(13(16)17)2-9-6(12)7-10-11-8(19-7)18-3-5(14)15/h2H,3H2,1H3,(H,14,15)