4-bromanyl-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-1-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-1-ethyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-1-ethyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-1-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[(4-ethoxy-2-nitro-phenyl)thiocarbamoyl]-1-ethyl-pyrazole-3-carboxamide Formula: C15H16BrN5O4S MolecularWeight: 442.28764

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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-])Br

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN5O4S/c1-3-20-8-10(16)13(19-20)14(22)18-15(26)17-11-6-5-9(25-4-2)7-12(11)21(23)24/h5-8H,3-4H2,1-2H3,(H2,17,18,22,26)