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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2-cyclopentylsulfanylphenyl)propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2-cyclopentylsulfanylphenyl)propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-[2-(cyclopentylthio)phenyl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-cyclopentylsulfanylphenyl)propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[2-(cyclopentylthio)phenyl]propionamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC=CC=C2SC3CCCC3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC=CC=C2SC3CCCC3

InChI

InChI=1S/C22H28N4OS/c1-16-19(17(2)26(25-16)15-7-14-23)12-13-22(27)24-20-10-5-6-11-21(20)28-18-8-3-4-9-18/h5-6,10-11,18H,3-4,7-9,12-13,15H2,1-2H3,(H,24,27)