2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[(3-acetyl-2,4,6-trimethylphenyl)methylthio]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[(3-acetyl-2,4,6-trimethyl-benzyl)thio]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O2S/c1-15-12-16(2)23(18(4)26)17(3)20(15)13-28-14-22(27)25-11-10-21(24-25)19-8-6-5-7-9-19/h5-9,12H,10-11,13-14H2,1-4H3