2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxo-N-[2-(3-thienylmethylsulfanyl)ethyl]acetamide CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-oxo-N-[2-(3-thiophenylmethylthio)ethyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-keto-N-[2-(3-thenylthio)ethyl]acetamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NCCSCC3=CSC=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NCCSCC3=CSC=C3

InChI

InChI=1S/C20H21N3O2S2/c1-14-18(15(2)23(22-14)17-6-4-3-5-7-17)19(24)20(25)21-9-11-27-13-16-8-10-26-12-16/h3-8,10,12H,9,11,13H2,1-2H3,(H,21,25)