1-[(4-bromanylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-1-pyrazolyl)methyl]-N-(2-mercaptoethyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-(2-mercaptoethyl)pyrazole-3-carboxamide Formula: C10H12BrN5OS MolecularWeight: 330.20418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1C(=O)NCCS)CN2C=C(C=N2)Br

Isomeric SMILES

C1=CN(N=C1C(=O)NCCS)CN2C=C(C=N2)Br

InChI

InChI=1S/C10H12BrN5OS/c11-8-5-13-16(6-8)7-15-3-1-9(14-15)10(17)12-2-4-18/h1,3,5-6,18H,2,4,7H2,(H,12,17)