N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]-4-iodanyl-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]-4-iodanyl-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioyl]-4-iodo-2-methyl-pyrazole-3-carboxamide CAS Name: N-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]-4-iodo-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-iodo-2-methylpyrazole-3-carboxamide Traditional Name: 4-iodo-N-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoyl]-2-methyl-pyrazole-3-carboxamide Formula: C17H17IN6O2S MolecularWeight: 496.32535

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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=C(C=NN3C)I

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=C(C=NN3C)I

InChI

InChI=1S/C17H17IN6O2S/c1-10-13(16(26)24(23(10)3)11-7-5-4-6-8-11)20-17(27)21-15(25)14-12(18)9-19-22(14)2/h4-9H,1-3H3,(H2,20,21,25,27)