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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[2-(3-thienylmethylsulfanyl)ethyl]propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-[2-(3-thiophenylmethylthio)ethyl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[2-(3-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=CSC=C2

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NCCSCC2=CSC=C2

InChI

InChI=1S/C18H24N4OS2/c1-14-17(15(2)22(21-14)9-3-7-19)4-5-18(23)20-8-11-25-13-16-6-10-24-12-16/h6,10,12H,3-5,8-9,11,13H2,1-2H3,(H,20,23)