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

Systemtic Name: 4-bromanyl-N-[(4-iodanyl-2-methyl-phenyl)carbamothioyl]-2,5-dimethyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[(4-iodo-2-methyl-phenyl)carbamothioyl]-2,5-dimethyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[(4-iodo-2-methylanilino)-sulfanylidenemethyl]-2,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[(4-iodo-2-methylphenyl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[(4-iodo-2-methyl-phenyl)thiocarbamoyl]-2,5-dimethyl-pyrazole-3-carboxamide Formula: C14H14BrIN4OS MolecularWeight: 493.16063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=S)NC(=O)C2=C(C(=NN2C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=S)NC(=O)C2=C(C(=NN2C)C)Br

InChI

InChI=1S/C14H14BrIN4OS/c1-7-6-9(16)4-5-10(7)17-14(22)18-13(21)12-11(15)8(2)19-20(12)3/h4-6H,1-3H3,(H2,17,18,21,22)