2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanylethanenitrile Openeye Name: 2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-(hydroxymethyl)-1-(phenylmethyl)-2-imidazolyl]thio]acetonitrile IUPAC Name: 2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanylacetonitrile Traditional Name: 2-[(1-benzyl-4-methylol-imidazol-2-yl)thio]acetonitrile Formula: C13H13N3OS MolecularWeight: 259.32682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(N=C2SCC#N)CO

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(N=C2SCC#N)CO

InChI

InChI=1S/C13H13N3OS/c14-6-7-18-13-15-12(10-17)9-16(13)8-11-4-2-1-3-5-11/h1-5,9,17H,7-8,10H2