4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3,5-dinitro-benzoic acid

Systemtic Name: 4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3,5-dinitro-benzoic acid Openeye Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3,5-dinitro-benzoic acid CAS Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3,5-dinitrobenzoic acid IUPAC Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3,5-dinitrobenzoic acid Traditional Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3,5-dinitro-benzoic acid Formula: C9H5N5O6S2 MolecularWeight: 343.2959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H5N5O6S2/c10-8-11-12-9(22-8)21-6-4(13(17)18)1-3(7(15)16)2-5(6)14(19)20/h1-2H,(H2,10,11)(H,15,16)