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

Systemtic Name: 4-bromanyl-N-[(4-ethanoylphenyl)carbamothioyl]-2,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[(4-acetylphenyl)carbamothioyl]-4-bromo-2,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-[(4-acetylanilino)-sulfanylidenemethyl]-4-bromo-2,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[(4-acetylphenyl)carbamothioyl]-4-bromo-2,5-dimethylpyrazole-3-carboxamide Traditional Name: N-[(4-acetylphenyl)thiocarbamoyl]-4-bromo-2,5-dimethyl-pyrazole-3-carboxamide Formula: C15H15BrN4O2S MolecularWeight: 395.2742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)C)C

Isomeric SMILES

CC1=NN(C(=C1Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)C)C

InChI

InChI=1S/C15H15BrN4O2S/c1-8-12(16)13(20(3)19-8)14(22)18-15(23)17-11-6-4-10(5-7-11)9(2)21/h4-7H,1-3H3,(H2,17,18,22,23)