5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]sulfanylbenzene-1,3-dicarbonitrile

Systemtic Name: 5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]sulfanylbenzene-1,3-dicarbonitrile Openeye Name: 5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]sulfanylbenzene-1,3-dicarbonitrile CAS Name: 5-[[3,5-diethyl-1-(2-hydroxyethyl)-4-pyrazolyl]thio]benzene-1,3-dicarbonitrile IUPAC Name: 5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]sulfanylbenzene-1,3-dicarbonitrile Traditional Name: 5-[[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]thio]isophthalonitrile Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1CCO)CC)SC2=CC(=CC(=C2)C#N)C#N

Isomeric SMILES

CCC1=C(C(=NN1CCO)CC)SC2=CC(=CC(=C2)C#N)C#N

InChI

InChI=1S/C17H18N4OS/c1-3-15-17(16(4-2)21(20-15)5-6-22)23-14-8-12(10-18)7-13(9-14)11-19/h7-9,22H,3-6H2,1-2H3