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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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