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

Systemtic Name: 2-[[1-(cyclohexylmethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[1-(cyclohexylmethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[1-(cyclohexylmethyl)-5-(hydroxymethyl)-2-imidazolyl]thio]methyl]benzonitrile IUPAC Name: 2-[[1-(cyclohexylmethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[1-(cyclohexylmethyl)-5-methylol-imidazol-2-yl]thio]methyl]benzonitrile Formula: C19H23N3OS MolecularWeight: 341.47042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C(=CN=C2SCC3=CC=CC=C3C#N)CO

Isomeric SMILES

C1CCC(CC1)CN2C(=CN=C2SCC3=CC=CC=C3C#N)CO

InChI

InChI=1S/C19H23N3OS/c20-10-16-8-4-5-9-17(16)14-24-19-21-11-18(13-23)22(19)12-15-6-2-1-3-7-15/h4-5,8-9,11,15,23H,1-3,6-7,12-14H2