N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(3,5-dimethylphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(3,5-dimethylphenyl)methylsulfanyl]ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(3,5-dimethylphenyl)methylthio]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide Traditional Name: 2-[(3,5-dimethylbenzyl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C

InChI

InChI=1S/C22H25N3O2S/c1-15-10-16(2)12-18(11-15)13-28-14-20(26)23-21-17(3)24(4)25(22(21)27)19-8-6-5-7-9-19/h5-12H,13-14H2,1-4H3,(H,23,26)