N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(2,3,5,6-tetramethylphenyl)thio]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[(2,3,5,6-tetramethylphenyl)thio]acetamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C

InChI

InChI=1S/C23H27N3O2S/c1-14-12-15(2)17(4)22(16(14)3)29-13-20(27)24-21-18(5)25(6)26(23(21)28)19-10-8-7-9-11-19/h7-12H,13H2,1-6H3,(H,24,27)