3-[5-(hydroxymethyl)-2-[(2-methylphenyl)methylsulfanyl]imidazol-1-yl]propanenitrile

Systemtic Name: 3-[5-(hydroxymethyl)-2-[(2-methylphenyl)methylsulfanyl]imidazol-1-yl]propanenitrile Openeye Name: 3-[5-(hydroxymethyl)-2-(o-tolylmethylsulfanyl)imidazol-1-yl]propanenitrile CAS Name: 3-[5-(hydroxymethyl)-2-[(2-methylphenyl)methylthio]-1-imidazolyl]propanenitrile IUPAC Name: 3-[5-(hydroxymethyl)-2-[(2-methylphenyl)methylsulfanyl]imidazol-1-yl]propanenitrile Traditional Name: 3-[2-[(2-methylbenzyl)thio]-5-methylol-imidazol-1-yl]propionitrile Formula: C15H17N3OS MolecularWeight: 287.37998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC=C(N2CCC#N)CO

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC=C(N2CCC#N)CO

InChI

InChI=1S/C15H17N3OS/c1-12-5-2-3-6-13(12)11-20-15-17-9-14(10-19)18(15)8-4-7-16/h2-3,5-6,9,19H,4,8,10-11H2,1H3