4-bromanyl-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-2,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-2,5-dimethyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-2,5-dimethyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-2,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[(4-ethoxy-2-nitro-phenyl)thiocarbamoyl]-2,5-dimethyl-pyrazole-3-carboxamide Formula: C15H16BrN5O4S MolecularWeight: 442.28764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C(=NN2C)C)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C(=NN2C)C)Br)[N+](=O)[O-]

InChI

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