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

Systemtic Name: 2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[[2-(4-methoxyphenyl)oxazol-4-yl]methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[[2-(4-methoxyphenyl)-4-oxazolyl]methylthio]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[[2-(4-methoxyphenyl)oxazol-4-yl]methylthio]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C22H21N3O3S MolecularWeight: 407.48544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CO2)CSCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CO2)CSCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O3S/c1-27-19-9-7-17(8-10-19)22-23-18(13-28-22)14-29-15-21(26)25-12-11-20(24-25)16-5-3-2-4-6-16/h2-10,13H,11-12,14-15H2,1H3