N-[2-[(4-bromophenyl)methyl]-5-methylsulfanyl-4-(phenylsulfonyl)pyrazol-3-yl]-N-ethanoyl-ethanamide

Systemtic Name: N-[2-[(4-bromophenyl)methyl]-5-methylsulfanyl-4-(phenylsulfonyl)pyrazol-3-yl]-N-ethanoyl-ethanamide Openeye Name: N-acetyl-N-[4-(benzenesulfonyl)-2-[(4-bromophenyl)methyl]-5-methylsulfanyl-pyrazol-3-yl]acetamide CAS Name: N-acetyl-N-[4-(benzenesulfonyl)-2-[(4-bromophenyl)methyl]-5-(methylthio)-3-pyrazolyl]acetamide IUPAC Name: N-acetyl-N-[4-(benzenesulfonyl)-2-[(4-bromophenyl)methyl]-5-methylsulfanylpyrazol-3-yl]acetamide Traditional Name: N-acetyl-N-[4-besyl-2-(4-bromobenzyl)-5-(methylthio)pyrazol-3-yl]acetamide Formula: C21H20BrN3O4S2 MolecularWeight: 522.4352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=C(C(=NN1CC2=CC=C(C=C2)Br)SC)S(=O)(=O)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC(=O)N(C1=C(C(=NN1CC2=CC=C(C=C2)Br)SC)S(=O)(=O)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C21H20BrN3O4S2/c1-14(26)25(15(2)27)21-19(31(28,29)18-7-5-4-6-8-18)20(30-3)23-24(21)13-16-9-11-17(22)12-10-16/h4-12H,13H2,1-3H3