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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[4-(3-pyridylmethylsulfanyl)phenyl]propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-[4-(3-pyridinylmethylthio)phenyl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[4-(3-pyridylmethylthio)phenyl]propionamide Formula: C23H25N5OS MolecularWeight: 419.5425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C23H25N5OS/c1-17-22(18(2)28(27-17)14-4-12-24)10-11-23(29)26-20-6-8-21(9-7-20)30-16-19-5-3-13-25-15-19/h3,5-9,13,15H,4,10-11,14,16H2,1-2H3,(H,26,29)