3-[3,5-diethyl-1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]oxy-5-methylsulfanyl-benzenecarbonitrile

Systemtic Name: 3-[3,5-diethyl-1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]oxy-5-methylsulfanyl-benzenecarbonitrile Openeye Name: 3-[3,5-diethyl-1-(2-tetrahydropyran-2-yloxyethyl)pyrazol-4-yl]oxy-5-methylsulfanyl-benzonitrile CAS Name: 3-[[3,5-diethyl-1-[2-(2-oxanyloxy)ethyl]-4-pyrazolyl]oxy]-5-(methylthio)benzonitrile IUPAC Name: 3-[3,5-diethyl-1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]oxy-5-methylsulfanylbenzonitrile Traditional Name: 3-[3,5-diethyl-1-(2-tetrahydropyran-2-yloxyethyl)pyrazol-4-yl]oxy-5-(methylthio)benzonitrile Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1CCOC2CCCCO2)CC)OC3=CC(=CC(=C3)C#N)SC

Isomeric SMILES

CCC1=C(C(=NN1CCOC2CCCCO2)CC)OC3=CC(=CC(=C3)C#N)SC

InChI

InChI=1S/C22H29N3O3S/c1-4-19-22(28-17-12-16(15-23)13-18(14-17)29-3)20(5-2)25(24-19)9-11-27-21-8-6-7-10-26-21/h12-14,21H,4-11H2,1-3H3