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

Systemtic Name: 4-(2-azanylethyl)-3-oxidanylidene-5-phenyl-1H-pyrazole-2-carboxamide; sulfuric acid Openeye Name: 4-(2-aminoethyl)-3-oxo-5-phenyl-1H-pyrazole-2-carboxamide; sulfuric acid CAS Name: 4-(2-aminoethyl)-3-oxo-5-phenyl-1H-pyrazole-2-carboxamide; sulfuric acid IUPAC Name: 4-(2-aminoethyl)-3-oxo-5-phenyl-1H-pyrazole-2-carboxamide; sulfuric acid Traditional Name: 4-(2-aminoethyl)-5-keto-3-phenyl-3-pyrazoline-1-carboxamide; sulfuric acid Formula: C12H16N4O6S MolecularWeight: 344.34364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N(N2)C(=O)N)CCN.OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N(N2)C(=O)N)CCN.OS(=O)(=O)O

InChI

InChI=1S/C12H14N4O2.H2O4S/c13-7-6-9-10(8-4-2-1-3-5-8)15-16(11(9)17)12(14)18;1-5(2,3)4/h1-5,15H,6-7,13H2,(H2,14,18);(H2,1,2,3,4)