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

Systemtic Name: 2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-(hydroxymethyl)-1-(p-tolylmethyl)imidazol-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-2-imidazolyl]thio]acetonitrile IUPAC Name: 2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetonitrile Traditional Name: 2-[[1-(4-methylbenzyl)-4-methylol-imidazol-2-yl]thio]acetonitrile Formula: C14H15N3OS MolecularWeight: 273.3534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(N=C2SCC#N)CO

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(N=C2SCC#N)CO

InChI

InChI=1S/C14H15N3OS/c1-11-2-4-12(5-3-11)8-17-9-13(10-18)16-14(17)19-7-6-15/h2-5,9,18H,7-8,10H2,1H3