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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=C(N1)CC2=CC=C(C=C2)OCC3=CC=CC=C3C#N)CO

Isomeric SMILES

CCCSC1=NC(=C(N1)CC2=CC=C(C=C2)OCC3=CC=CC=C3C#N)CO

InChI

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