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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3-methylsulfanylphenyl)propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3-methylsulfanylphenyl)propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-[3-(methylthio)phenyl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylsulfanylphenyl)propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[3-(methylthio)phenyl]propionamide Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C18H22N4OS/c1-13-17(14(2)22(21-13)11-5-10-19)8-9-18(23)20-15-6-4-7-16(12-15)24-3/h4,6-7,12H,5,8-9,11H2,1-3H3,(H,20,23)