(2R)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: (2R)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-(4-methylphenyl)sulfanyl-propanamide Openeye Name: (2R)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-(p-tolylsulfanyl)propanamide CAS Name: (2R)-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-2-[(4-methylphenyl)thio]propanamide IUPAC Name: (2R)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide Traditional Name: (2R)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-(p-tolylthio)propionamide Formula: C22H25N3OS MolecularWeight: 379.5184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H](C)C(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3OS/c1-15-10-12-20(13-11-15)27-18(4)22(26)23-14-21-16(2)24-25(17(21)3)19-8-6-5-7-9-19/h5-13,18H,14H2,1-4H3,(H,23,26)/t18-/m1/s1