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

Systemtic Name: 5-[[3-ethyl-5-[2-(3-methylsulfinylphenoxy)ethyl]-1H-pyrazol-4-yl]oxy]benzene-1,3-dicarbonitrile Openeye Name: 5-[[3-ethyl-5-[2-(3-methylsulfinylphenoxy)ethyl]-1H-pyrazol-4-yl]oxy]benzene-1,3-dicarbonitrile CAS Name: 5-[[3-ethyl-5-[2-(3-methylsulfinylphenoxy)ethyl]-1H-pyrazol-4-yl]oxy]benzene-1,3-dicarbonitrile IUPAC Name: 5-[[3-ethyl-5-[2-(3-methylsulfinylphenoxy)ethyl]-1H-pyrazol-4-yl]oxy]benzene-1,3-dicarbonitrile Traditional Name: 5-[[3-ethyl-5-[2-(3-methylsulfinylphenoxy)ethyl]-1H-pyrazol-4-yl]oxy]isophthalonitrile Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3S/c1-3-20-22(29-18-10-15(13-23)9-16(11-18)14-24)21(26-25-20)7-8-28-17-5-4-6-19(12-17)30(2)27/h4-6,9-12H,3,7-8H2,1-2H3,(H,25,26)