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

Systemtic Name: 2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[(2-methoxy-5-methylphenyl)methylthio]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[(2-methoxy-5-methyl-benzyl)thio]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O2S/c1-15-8-9-19(24-2)17(12-15)13-25-14-20(23)22-11-10-18(21-22)16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3