5-nitro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid

Systemtic Name: 5-nitro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid Openeye Name: 5-nitro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid CAS Name: 5-nitro-2-(1,3,4-thiadiazol-2-ylthio)benzoic acid IUPAC Name: 5-nitro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid Traditional Name: 5-nitro-2-(1,3,4-thiadiazol-2-ylthio)benzoic acid Formula: C9H5N3O4S2 MolecularWeight: 283.2837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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