5-(4-chloranyl-1-methyl-pyrazol-3-yl)-N-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine; sulfuric acid

Systemtic Name: 5-(4-chloranyl-1-methyl-pyrazol-3-yl)-N-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine; sulfuric acid Openeye Name: 5-(4-chloro-1-methyl-pyrazol-3-yl)-N-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine; sulfuric acid CAS Name: 5-(4-chloro-1-methyl-3-pyrazolyl)-N-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine; sulfuric acid IUPAC Name: 5-(4-chloro-1-methylpyrazol-3-yl)-N-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine; sulfuric acid Traditional Name: [5-(4-chloro-1-methyl-pyrazol-3-yl)-1,3,4-thiadiazol-2-yl]-(4-nitrophenyl)amine; sulfuric acid Formula: C12H11ClN6O6S2 MolecularWeight: 434.83534

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=NN=C(S2)NC3=CC=C(C=C3)[N+](=O)[O-])Cl.OS(=O)(=O)O

Isomeric SMILES

CN1C=C(C(=N1)C2=NN=C(S2)NC3=CC=C(C=C3)[N+](=O)[O-])Cl.OS(=O)(=O)O

InChI

InChI=1S/C12H9ClN6O2S.H2O4S/c1-18-6-9(13)10(17-18)11-15-16-12(22-11)14-7-2-4-8(5-3-7)19(20)21;1-5(2,3)4/h2-6H,1H3,(H,14,16);(H2,1,2,3,4)