4-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]-2-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]-2-ethyl-pyrazole-3-carboxamide Openeye Name: 4-[(4-bromo-2-chloro-phenyl)carbamothioylamino]-2-ethyl-pyrazole-3-carboxamide CAS Name: 4-[[(4-bromo-2-chloroanilino)-sulfanylidenemethyl]amino]-2-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-[(4-bromo-2-chlorophenyl)carbamothioylamino]-2-ethylpyrazole-3-carboxamide Traditional Name: 4-[(4-bromo-2-chloro-phenyl)thiocarbamoylamino]-2-ethyl-pyrazole-3-carboxamide Formula: C13H13BrClN5OS MolecularWeight: 402.69722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrClN5OS/c1-2-20-11(12(16)21)10(6-17-20)19-13(22)18-9-4-3-7(14)5-8(9)15/h3-6H,2H2,1H3,(H2,16,21)(H2,18,19,22)