N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-1-ethyl-pyrazole-4-carboxamide

Systemtic Name: N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-1-ethyl-pyrazole-4-carboxamide Openeye Name: N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-1-ethyl-pyrazole-4-carboxamide CAS Name: N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-1-ethyl-4-pyrazolecarboxamide IUPAC Name: N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-1-ethylpyrazole-4-carboxamide Traditional Name: N-[(4-ethoxy-2-nitro-phenyl)thiocarbamoyl]-1-ethyl-pyrazole-4-carboxamide Formula: C15H17N5O4S MolecularWeight: 363.39158

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)NC(=S)NC2=C(C=C(C=C2)OCC)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C=N1)C(=O)NC(=S)NC2=C(C=C(C=C2)OCC)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O4S/c1-3-19-9-10(8-16-19)14(21)18-15(25)17-12-6-5-11(24-4-2)7-13(12)20(22)23/h5-9H,3-4H2,1-2H3,(H2,17,18,21,25)