4-chloranyl-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-2-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-chloranyl-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-2-ethyl-pyrazole-3-carboxamide Openeye Name: 4-chloro-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-2-ethyl-pyrazole-3-carboxamide CAS Name: 4-chloro-N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-2-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-chloro-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-ethylpyrazole-3-carboxamide Traditional Name: 4-chloro-N-[(4-ethoxy-2-nitro-phenyl)thiocarbamoyl]-2-ethyl-pyrazole-3-carboxamide Formula: C15H16ClN5O4S MolecularWeight: 397.83664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN5O4S/c1-3-20-13(10(16)8-17-20)14(22)19-15(26)18-11-6-5-9(25-4-2)7-12(11)21(23)24/h5-8H,3-4H2,1-2H3,(H2,18,19,22,26)