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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[2-(2-thienylmethylsulfanyl)ethyl]propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-[2-(thiophen-2-ylmethylthio)ethyl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[2-(2-thenylthio)ethyl]propionamide Formula: C18H24N4OS2 MolecularWeight: 376.53936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NCCSCC2=CC=CS2

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NCCSCC2=CC=CS2

InChI

InChI=1S/C18H24N4OS2/c1-14-17(15(2)22(21-14)10-4-8-19)6-7-18(23)20-9-12-24-13-16-5-3-11-25-16/h3,5,11H,4,6-7,9-10,12-13H2,1-2H3,(H,20,23)