N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-ethanamide Openeye Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-acetamide CAS Name: N-(5-methyl-2-phenyl-3-pyrazolyl)-2-[(2,3,5,6-tetramethylphenyl)thio]acetamide IUPAC Name: N-(5-methyl-2-phenylpyrazol-3-yl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide Traditional Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[(2,3,5,6-tetramethylphenyl)thio]acetamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)SCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)SCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C)C)C

InChI

InChI=1S/C22H25N3OS/c1-14-11-15(2)18(5)22(17(14)4)27-13-21(26)23-20-12-16(3)24-25(20)19-9-7-6-8-10-19/h6-12H,13H2,1-5H3,(H,23,26)