2-[2-[3-(hydroxymethyl)piperidin-1-yl]carbonylphenyl]sulfanylethanenitrile

Systemtic Name: 2-[2-[3-(hydroxymethyl)piperidin-1-yl]carbonylphenyl]sulfanylethanenitrile Openeye Name: 2-[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]sulfanylacetonitrile CAS Name: 2-[[2-[[3-(hydroxymethyl)-1-piperidinyl]-oxomethyl]phenyl]thio]acetonitrile IUPAC Name: 2-[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]sulfanylacetonitrile Traditional Name: 2-[[2-(3-methylolpiperidine-1-carbonyl)phenyl]thio]acetonitrile Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CC=C2SCC#N)CO

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=CC=C2SCC#N)CO

InChI

InChI=1S/C15H18N2O2S/c16-7-9-20-14-6-2-1-5-13(14)15(19)17-8-3-4-12(10-17)11-18/h1-2,5-6,12,18H,3-4,8-11H2