4-[(4-bromophenyl)carbamothioylamino]-2-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-[(4-bromophenyl)carbamothioylamino]-2-ethyl-pyrazole-3-carboxamide Openeye Name: 4-[(4-bromophenyl)carbamothioylamino]-2-ethyl-pyrazole-3-carboxamide CAS Name: 4-[[(4-bromoanilino)-sulfanylidenemethyl]amino]-2-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-[(4-bromophenyl)carbamothioylamino]-2-ethylpyrazole-3-carboxamide Traditional Name: 4-[(4-bromophenyl)thiocarbamoylamino]-2-ethyl-pyrazole-3-carboxamide Formula: C13H14BrN5OS MolecularWeight: 368.25216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrN5OS/c1-2-19-11(12(15)20)10(7-16-19)18-13(21)17-9-5-3-8(14)4-6-9/h3-7H,2H2,1H3,(H2,15,20)(H2,17,18,21)