4-(2-azanylethyl)-5-(4-chlorophenyl)-3-oxidanylidene-1H-pyrazole-2-carboxamide; sulfuric acid

Systemtic Name: 4-(2-azanylethyl)-5-(4-chlorophenyl)-3-oxidanylidene-1H-pyrazole-2-carboxamide; sulfuric acid Openeye Name: 4-(2-aminoethyl)-5-(4-chlorophenyl)-3-oxo-1H-pyrazole-2-carboxamide; sulfuric acid CAS Name: 4-(2-aminoethyl)-5-(4-chlorophenyl)-3-oxo-1H-pyrazole-2-carboxamide; sulfuric acid IUPAC Name: 4-(2-aminoethyl)-5-(4-chlorophenyl)-3-oxo-1H-pyrazole-2-carboxamide; sulfuric acid Traditional Name: 4-(2-aminoethyl)-3-(4-chlorophenyl)-5-keto-3-pyrazoline-1-carboxamide; sulfuric acid Formula: C12H15ClN4O6S MolecularWeight: 378.7887

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=O)N(N2)C(=O)N)CCN)Cl.OS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=O)N(N2)C(=O)N)CCN)Cl.OS(=O)(=O)O

InChI

InChI=1S/C12H13ClN4O2.H2O4S/c13-8-3-1-7(2-4-8)10-9(5-6-14)11(18)17(16-10)12(15)19;1-5(2,3)4/h1-4,16H,5-6,14H2,(H2,15,19);(H2,1,2,3,4)