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

Systemtic Name: 2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[[2-(3-methoxyphenyl)thiazol-4-yl]methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[[2-(3-methoxyphenyl)-4-thiazolyl]methylthio]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[[2-(3-methoxyphenyl)thiazol-4-yl]methylthio]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=CS2)CSCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=CS2)CSCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S2/c1-27-19-9-5-8-17(12-19)22-23-18(14-29-22)13-28-15-21(26)25-11-10-20(24-25)16-6-3-2-4-7-16/h2-9,12,14H,10-11,13,15H2,1H3