1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-ethanone

Systemtic Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-ethanone Openeye Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-ethanone CAS Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[(2,3,5,6-tetramethylphenyl)thio]ethanone IUPAC Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-(2,3,5,6-tetramethylphenyl)sulfanylethanone Traditional Name: 1-(3-phenyl-2-pyrazolin-1-yl)-2-[(2,3,5,6-tetramethylphenyl)thio]ethanone Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)SCC(=O)N2CCC(=N2)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)SCC(=O)N2CCC(=N2)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H24N2OS/c1-14-12-15(2)17(4)21(16(14)3)25-13-20(24)23-11-10-19(22-23)18-8-6-5-7-9-18/h5-9,12H,10-11,13H2,1-4H3