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

Systemtic Name: 4-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-[(4-bromo-2-chloro-phenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide CAS Name: 4-[[(4-bromo-2-chloroanilino)-sulfanylidenemethyl]amino]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-[(4-bromo-2-chlorophenyl)carbamothioylamino]-1-methylpyrazole-3-carboxamide Traditional Name: 4-[(4-bromo-2-chloro-phenyl)thiocarbamoylamino]-1-methyl-pyrazole-3-carboxamide Formula: C12H11BrClN5OS MolecularWeight: 388.67064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C12H11BrClN5OS/c1-19-5-9(10(18-19)11(15)20)17-12(21)16-8-3-2-6(13)4-7(8)14/h2-5H,1H3,(H2,15,20)(H2,16,17,21)