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

Systemtic Name: 3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-methylsulfanyl-benzenecarbonitrile Openeye Name: 3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-methylsulfanyl-benzonitrile CAS Name: 3-[[3,5-diethyl-1-(2-hydroxyethyl)-4-pyrazolyl]oxy]-5-(methylthio)benzonitrile IUPAC Name: 3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-methylsulfanylbenzonitrile Traditional Name: 3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-(methylthio)benzonitrile Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1CCO)CC)OC2=CC(=CC(=C2)C#N)SC

Isomeric SMILES

CCC1=C(C(=NN1CCO)CC)OC2=CC(=CC(=C2)C#N)SC

InChI

InChI=1S/C17H21N3O2S/c1-4-15-17(16(5-2)20(19-15)6-7-21)22-13-8-12(11-18)9-14(10-13)23-3/h8-10,21H,4-7H2,1-3H3