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

Systemtic Name: 5-(4-chloranyl-1-methyl-pyrazol-3-yl)-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine; sulfuric acid Openeye Name: 5-(4-chloro-1-methyl-pyrazol-3-yl)-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine; sulfuric acid CAS Name: 5-(4-chloro-1-methyl-3-pyrazolyl)-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine; sulfuric acid IUPAC Name: 5-(4-chloro-1-methylpyrazol-3-yl)-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine; sulfuric acid Traditional Name: [5-(4-chloro-1-methyl-pyrazol-3-yl)-1,3,4-thiadiazol-2-yl]-(2-methoxyphenyl)amine; sulfuric acid Formula: C13H14ClN5O5S2 MolecularWeight: 419.86376

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=NN=C(S2)NC3=CC=CC=C3OC)Cl.OS(=O)(=O)O

Isomeric SMILES

CN1C=C(C(=N1)C2=NN=C(S2)NC3=CC=CC=C3OC)Cl.OS(=O)(=O)O

InChI

InChI=1S/C13H12ClN5OS.H2O4S/c1-19-7-8(14)11(18-19)12-16-17-13(21-12)15-9-5-3-4-6-10(9)20-2;1-5(2,3)4/h3-7H,1-2H3,(H,15,17);(H2,1,2,3,4)