3-nitro-4-(1,3,4-thiadiazol-2-ylsulfanyl)benzoate

Systemtic Name: 3-nitro-4-(1,3,4-thiadiazol-2-ylsulfanyl)benzoate Openeye Name: 3-nitro-4-(1,3,4-thiadiazol-2-ylsulfanyl)benzoate CAS Name: 3-nitro-4-(1,3,4-thiadiazol-2-ylthio)benzoate IUPAC Name: 3-nitro-4-(1,3,4-thiadiazol-2-ylsulfanyl)benzoate Traditional Name: 3-nitro-4-(1,3,4-thiadiazol-2-ylthio)benzoate Formula: C9H4N3O4S2- MolecularWeight: 282.27576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])SC2=NN=CS2

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])SC2=NN=CS2

InChI

InChI=1S/C9H5N3O4S2/c13-8(14)5-1-2-7(6(3-5)12(15)16)18-9-11-10-4-17-9/h1-4H,(H,13,14)/p-1