4-bromanyl-N-[(2-bromanyl-4-methyl-phenyl)carbamothioyl]-1-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[(2-bromanyl-4-methyl-phenyl)carbamothioyl]-1-ethyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[(2-bromo-4-methyl-phenyl)carbamothioyl]-1-ethyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[(2-bromo-4-methylanilino)-sulfanylidenemethyl]-1-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[(2-bromo-4-methylphenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[(2-bromo-4-methyl-phenyl)thiocarbamoyl]-1-ethyl-pyrazole-3-carboxamide Formula: C14H14Br2N4OS MolecularWeight: 446.16016

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC(=S)NC2=C(C=C(C=C2)C)Br)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC(=S)NC2=C(C=C(C=C2)C)Br)Br

InChI

InChI=1S/C14H14Br2N4OS/c1-3-20-7-10(16)12(19-20)13(21)18-14(22)17-11-5-4-8(2)6-9(11)15/h4-7H,3H2,1-2H3,(H2,17,18,21,22)