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

Systemtic Name: 5-[[3-ethyl-5-[2-(3-methylsulfanylphenoxy)ethyl]-1H-pyrazol-4-yl]oxy]benzene-1,3-dicarbonitrile Openeye Name: 5-[[3-ethyl-5-[2-(3-methylsulfanylphenoxy)ethyl]-1H-pyrazol-4-yl]oxy]benzene-1,3-dicarbonitrile CAS Name: 5-[[3-ethyl-5-[2-[3-(methylthio)phenoxy]ethyl]-1H-pyrazol-4-yl]oxy]benzene-1,3-dicarbonitrile IUPAC Name: 5-[[3-ethyl-5-[2-(3-methylsulfanylphenoxy)ethyl]-1H-pyrazol-4-yl]oxy]benzene-1,3-dicarbonitrile Traditional Name: 5-[[3-ethyl-5-[2-[3-(methylthio)phenoxy]ethyl]-1H-pyrazol-4-yl]oxy]isophthalonitrile Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O2S/c1-3-20-22(28-18-10-15(13-23)9-16(11-18)14-24)21(26-25-20)7-8-27-17-5-4-6-19(12-17)29-2/h4-6,9-12H,3,7-8H2,1-2H3,(H,25,26)