5-bromanyl-N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoyl]-2-furamide Formula: C17H15BrN4O3S MolecularWeight: 435.295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C17H15BrN4O3S/c1-10-14(16(24)22(21(10)2)11-6-4-3-5-7-11)19-17(26)20-15(23)12-8-9-13(18)25-12/h3-9H,1-2H3,(H2,19,20,23,26)