4-[[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[1-(2-cyanoethyl)-5-(hydroxymethyl)-2-imidazolyl]thio]methyl]benzonitrile IUPAC Name: 4-[[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[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(=CC=C1CSC2=NC=C(N2CCC#N)CO)C#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=C(N2CCC#N)CO)C#N

InChI

InChI=1S/C15H14N4OS/c16-6-1-7-19-14(10-20)9-18-15(19)21-11-13-4-2-12(8-17)3-5-13/h2-5,9,20H,1,7,10-11H2