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

Systemtic Name: 4-bromanyl-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-2-methyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-2-methyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[(4-ethoxy-2-nitro-phenyl)thiocarbamoyl]-2-methyl-pyrazole-3-carboxamide Formula: C14H14BrN5O4S MolecularWeight: 428.26106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrN5O4S/c1-3-24-8-4-5-10(11(6-8)20(22)23)17-14(25)18-13(21)12-9(15)7-16-19(12)2/h4-7H,3H2,1-2H3,(H2,17,18,21,25)