4-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxamide Openeye Name: 4-[(4-bromo-2-chloro-phenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxamide CAS Name: 4-[[(4-bromo-2-chloroanilino)-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-[(4-bromo-2-chlorophenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide Traditional Name: 4-[(4-bromo-2-chloro-phenyl)thiocarbamoylamino]-1-ethyl-pyrazole-3-carboxamide Formula: C13H13BrClN5OS MolecularWeight: 402.69722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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