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

Systemtic Name: 5-[2-(hydroxymethyl)-5-propan-2-yl-3-(pyridin-4-ylmethyl)imidazol-4-yl]sulfanylbenzene-1,3-dicarbonitrile Openeye Name: 5-[2-(hydroxymethyl)-5-isopropyl-3-(4-pyridylmethyl)imidazol-4-yl]sulfanylbenzene-1,3-dicarbonitrile CAS Name: 5-[[2-(hydroxymethyl)-5-propan-2-yl-3-(pyridin-4-ylmethyl)-4-imidazolyl]thio]benzene-1,3-dicarbonitrile IUPAC Name: 5-[2-(hydroxymethyl)-5-propan-2-yl-3-(pyridin-4-ylmethyl)imidazol-4-yl]sulfanylbenzene-1,3-dicarbonitrile Traditional Name: 5-[[5-isopropyl-2-methylol-3-(4-pyridylmethyl)imidazol-4-yl]thio]isophthalonitrile Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C(=N1)CO)CC2=CC=NC=C2)SC3=CC(=CC(=C3)C#N)C#N

Isomeric SMILES

CC(C)C1=C(N(C(=N1)CO)CC2=CC=NC=C2)SC3=CC(=CC(=C3)C#N)C#N

InChI

InChI=1S/C21H19N5OS/c1-14(2)20-21(28-18-8-16(10-22)7-17(9-18)11-23)26(19(13-27)25-20)12-15-3-5-24-6-4-15/h3-9,14,27H,12-13H2,1-2H3