5-[[3-ethyl-5-[2-(4-methylsulfonylphenoxy)ethyl]-1H-pyrazol-4-yl]oxy]benzene-1,3-dicarbonitrile

Systemtic Name: 5-[[3-ethyl-5-[2-(4-methylsulfonylphenoxy)ethyl]-1H-pyrazol-4-yl]oxy]benzene-1,3-dicarbonitrile Openeye Name: 5-[[3-ethyl-5-[2-(4-methylsulfonylphenoxy)ethyl]-1H-pyrazol-4-yl]oxy]benzene-1,3-dicarbonitrile CAS Name: 5-[[3-ethyl-5-[2-(4-methylsulfonylphenoxy)ethyl]-1H-pyrazol-4-yl]oxy]benzene-1,3-dicarbonitrile IUPAC Name: 5-[[3-ethyl-5-[2-(4-methylsulfonylphenoxy)ethyl]-1H-pyrazol-4-yl]oxy]benzene-1,3-dicarbonitrile Traditional Name: 5-[[3-ethyl-5-[2-(4-mesylphenoxy)ethyl]-1H-pyrazol-4-yl]oxy]isophthalonitrile Formula: C22H20N4O4S MolecularWeight: 436.4836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=C1OC2=CC(=CC(=C2)C#N)C#N)CCOC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC1=NNC(=C1OC2=CC(=CC(=C2)C#N)C#N)CCOC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H20N4O4S/c1-3-20-22(30-18-11-15(13-23)10-16(12-18)14-24)21(26-25-20)8-9-29-17-4-6-19(7-5-17)31(2,27)28/h4-7,10-12H,3,8-9H2,1-2H3,(H,25,26)