2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[(4,5-dimethoxy-2-methylphenyl)methylthio]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[(4,5-dimethoxy-2-methyl-benzyl)thio]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSCC(=O)N2CCC(=N2)C3=CC=CC=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSCC(=O)N2CCC(=N2)C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C21H24N2O3S/c1-15-11-19(25-2)20(26-3)12-17(15)13-27-14-21(24)23-10-9-18(22-23)16-7-5-4-6-8-16/h4-8,11-12H,9-10,13-14H2,1-3H3