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

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-oxidanylidene-ethanamide Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[2-(2-furylmethylsulfanyl)ethyl]-2-oxo-acetamide CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[2-(2-furanylmethylthio)ethyl]-2-oxoacetamide IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-oxoacetamide Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[2-(2-furfurylthio)ethyl]-2-keto-acetamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NCCSCC3=CC=CO3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NCCSCC3=CC=CO3

InChI

InChI=1S/C20H21N3O3S/c1-14-18(15(2)23(22-14)16-7-4-3-5-8-16)19(24)20(25)21-10-12-27-13-17-9-6-11-26-17/h3-9,11H,10,12-13H2,1-2H3,(H,21,25)