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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-ethyl-N-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-ethyl-N-[2-oxo-2-(2-thienylmethylamino)ethyl]propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-ethyl-N-[2-keto-2-(2-thenylamino)ethyl]propionamide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=CS1)C(=O)CCC2=C(N(N=C2C)CCC#N)C

Isomeric SMILES

CCN(CC(=O)NCC1=CC=CS1)C(=O)CCC2=C(N(N=C2C)CCC#N)C

InChI

InChI=1S/C20H27N5O2S/c1-4-24(14-19(26)22-13-17-7-5-12-28-17)20(27)9-8-18-15(2)23-25(16(18)3)11-6-10-21/h5,7,12H,4,6,8-9,11,13-14H2,1-3H3,(H,22,26)