N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C20H20N4O3S MolecularWeight: 396.4628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S/c1-14-19(15(2)23(22-14)16-6-4-3-5-7-16)12-21-20(25)13-28-18-10-8-17(9-11-18)24(26)27/h3-11H,12-13H2,1-2H3,(H,21,25)