3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide

Systemtic Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide Openeye Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]propanamide CAS Name: 3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-N-[4-(3-pyridinylmethylthio)phenyl]propanamide IUPAC Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide Traditional Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)-N-[4-(3-pyridylmethylthio)phenyl]propionamide Formula: C24H30N4OS MolecularWeight: 422.5862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CCC(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CCC(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C24H30N4OS/c1-17(2)15-28-19(4)23(18(3)27-28)11-12-24(29)26-21-7-9-22(10-8-21)30-16-20-6-5-13-25-14-20/h5-10,13-14,17H,11-12,15-16H2,1-4H3,(H,26,29)