4-[[1-(1,3-benzodioxol-5-ylmethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[1-(1,3-benzodioxol-5-ylmethyl)-5-(hydroxymethyl)-2-imidazolyl]thio]methyl]benzonitrile IUPAC Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[(5-methylol-1-piperonyl-imidazol-2-yl)thio]methyl]benzonitrile Formula: C20H17N3O3S MolecularWeight: 379.43228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=CN=C3SCC4=CC=C(C=C4)C#N)CO

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=CN=C3SCC4=CC=C(C=C4)C#N)CO

InChI

InChI=1S/C20H17N3O3S/c21-8-14-1-3-15(4-2-14)12-27-20-22-9-17(11-24)23(20)10-16-5-6-18-19(7-16)26-13-25-18/h1-7,9,24H,10-13H2