3-[5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]propanoic acid

Systemtic Name: 3-[5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]propanoic acid Openeye Name: 3-[5-(5-nitrothiazol-2-yl)sulfanyl-1,3,4-thiadiazol-2-yl]propanoic acid CAS Name: 3-[5-[(5-nitro-2-thiazolyl)thio]-1,3,4-thiadiazol-2-yl]propanoic acid IUPAC Name: 3-[5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]propanoic acid Traditional Name: 3-[5-[(5-nitrothiazol-2-yl)thio]-1,3,4-thiadiazol-2-yl]propionic acid Formula: C8H6N4O4S3 MolecularWeight: 318.35264

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=N1)SC2=NN=C(S2)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(SC(=N1)SC2=NN=C(S2)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H6N4O4S3/c13-6(14)2-1-4-10-11-8(17-4)19-7-9-3-5(18-7)12(15)16/h3H,1-2H2,(H,13,14)