4-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylsulfonyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylsulfonyl]-1,2-dihydropyrazol-3-one Openeye Name: 4-[[4-[2-(2-phenyloxazol-4-yl)ethoxy]phenyl]methylsulfonyl]-1,2-dihydropyrazol-3-one CAS Name: 4-[[4-[2-(2-phenyl-4-oxazolyl)ethoxy]phenyl]methylsulfonyl]-1,2-dihydropyrazol-3-one IUPAC Name: 4-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylsulfonyl]-1,2-dihydropyrazol-3-one Traditional Name: 4-[4-[2-(2-phenyloxazol-4-yl)ethoxy]benzyl]sulfonyl-3-pyrazolin-3-one Formula: C21H19N3O5S MolecularWeight: 425.45766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CO2)CCOC3=CC=C(C=C3)CS(=O)(=O)C4=CNNC4=O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CO2)CCOC3=CC=C(C=C3)CS(=O)(=O)C4=CNNC4=O

InChI

InChI=1S/C21H19N3O5S/c25-20-19(12-22-24-20)30(26,27)14-15-6-8-18(9-7-15)28-11-10-17-13-29-21(23-17)16-4-2-1-3-5-16/h1-9,12-13H,10-11,14H2,(H2,22,24,25)