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

Systemtic Name: 2-[[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[1-(2-cyanoethyl)-5-(hydroxymethyl)-2-imidazolyl]thio]methyl]benzonitrile IUPAC Name: 2-[[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[1-(2-cyanoethyl)-5-methylol-imidazol-2-yl]thio]methyl]benzonitrile Formula: C15H14N4OS MolecularWeight: 298.36286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC=C(N2CCC#N)CO)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC=C(N2CCC#N)CO)C#N

InChI

InChI=1S/C15H14N4OS/c16-6-3-7-19-14(10-20)9-18-15(19)21-11-13-5-2-1-4-12(13)8-17/h1-2,4-5,9,20H,3,7,10-11H2