2-[[4-[[5-(hydroxymethyl)-2-propylsulfanyl-imidazol-1-yl]methyl]phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[[5-(hydroxymethyl)-2-propylsulfanyl-imidazol-1-yl]methyl]phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[[5-(hydroxymethyl)-2-propylsulfanyl-imidazol-1-yl]methyl]phenoxy]methyl]benzonitrile CAS Name: 2-[[4-[[5-(hydroxymethyl)-2-(propylthio)-1-imidazolyl]methyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-[[5-(hydroxymethyl)-2-propylsulfanylimidazol-1-yl]methyl]phenoxy]methyl]benzonitrile Traditional Name: 2-[[4-[[5-methylol-2-(propylthio)imidazol-1-yl]methyl]phenoxy]methyl]benzonitrile Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(N1CC2=CC=C(C=C2)OCC3=CC=CC=C3C#N)CO

Isomeric SMILES

CCCSC1=NC=C(N1CC2=CC=C(C=C2)OCC3=CC=CC=C3C#N)CO

InChI

InChI=1S/C22H23N3O2S/c1-2-11-28-22-24-13-20(15-26)25(22)14-17-7-9-21(10-8-17)27-16-19-6-4-3-5-18(19)12-23/h3-10,13,26H,2,11,14-16H2,1H3