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

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-15(24)17-8-9-20(26-2)18(12-17)13-27-14-21(25)23-11-10-19(22-23)16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3