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

Systemtic Name: 2-(2,4-dimethylphenyl)sulfanyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-(2,4-dimethylphenyl)sulfanyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[(2,4-dimethylphenyl)thio]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-(2,4-dimethylphenyl)sulfanyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[(2,4-dimethylphenyl)thio]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C19H20N2OS MolecularWeight: 324.4399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)N2CCC(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)N2CCC(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C19H20N2OS/c1-14-8-9-18(15(2)12-14)23-13-19(22)21-11-10-17(20-21)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3