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

Systemtic Name: (2R)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]propanamide Openeye Name: (2R)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(o-tolylmethylsulfanyl)propanamide CAS Name: (2R)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(2-methylphenyl)methylthio]propanamide IUPAC Name: (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]propanamide Traditional Name: (2R)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[(2-methylbenzyl)thio]propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC=CC=C1CS[C@H](C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C22H25N3O2S/c1-15-10-8-9-11-18(15)14-28-17(3)21(26)23-20-16(2)24(4)25(22(20)27)19-12-6-5-7-13-19/h5-13,17H,14H2,1-4H3,(H,23,26)/t17-/m1/s1