4-[[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(hydroxymethyl)-1-isobutyl-imidazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(hydroxymethyl)-1-(2-methylpropyl)-2-imidazolyl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[(1-isobutyl-5-methylol-imidazol-2-yl)thio]methyl]benzonitrile Formula: C16H19N3OS MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1SCC2=CC=C(C=C2)C#N)CO

Isomeric SMILES

CC(C)CN1C(=CN=C1SCC2=CC=C(C=C2)C#N)CO

InChI

InChI=1S/C16H19N3OS/c1-12(2)9-19-15(10-20)8-18-16(19)21-11-14-5-3-13(7-17)4-6-14/h3-6,8,12,20H,9-11H2,1-2H3