5-[3-ethyl-2-(hydroxymethyl)-5-propan-2-yl-imidazol-4-yl]sulfanylbenzene-1,3-dicarbonitrile

Systemtic Name: 5-[3-ethyl-2-(hydroxymethyl)-5-propan-2-yl-imidazol-4-yl]sulfanylbenzene-1,3-dicarbonitrile Openeye Name: 5-[3-ethyl-2-(hydroxymethyl)-5-isopropyl-imidazol-4-yl]sulfanylbenzene-1,3-dicarbonitrile CAS Name: 5-[[3-ethyl-2-(hydroxymethyl)-5-propan-2-yl-4-imidazolyl]thio]benzene-1,3-dicarbonitrile IUPAC Name: 5-[3-ethyl-2-(hydroxymethyl)-5-propan-2-ylimidazol-4-yl]sulfanylbenzene-1,3-dicarbonitrile Traditional Name: 5-[(3-ethyl-5-isopropyl-2-methylol-imidazol-4-yl)thio]isophthalonitrile Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=C1SC2=CC(=CC(=C2)C#N)C#N)C(C)C)CO

Isomeric SMILES

CCN1C(=NC(=C1SC2=CC(=CC(=C2)C#N)C#N)C(C)C)CO

InChI

InChI=1S/C17H18N4OS/c1-4-21-15(10-22)20-16(11(2)3)17(21)23-14-6-12(8-18)5-13(7-14)9-19/h5-7,11,22H,4,10H2,1-3H3