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

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-(2-methylphenyl)sulfanyl-ethanamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-(o-tolylsulfanyl)acetamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-[(2-methylphenyl)thio]acetamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-(o-tolylthio)acetamide Formula: C22H25N3OS MolecularWeight: 379.5184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3OS/c1-16-9-7-8-12-21(16)27-15-22(26)23-13-20-17(2)24-25(18(20)3)14-19-10-5-4-6-11-19/h4-12H,13-15H2,1-3H3,(H,23,26)