3-(pyridin-4-ylmethylsulfanyl)propane-1,2-diol

Systemtic Name: 3-(pyridin-4-ylmethylsulfanyl)propane-1,2-diol Openeye Name: 3-(4-pyridylmethylsulfanyl)propane-1,2-diol CAS Name: 3-(pyridin-4-ylmethylthio)propane-1,2-diol IUPAC Name: 3-(pyridin-4-ylmethylsulfanyl)propane-1,2-diol Traditional Name: 3-(4-pyridylmethylthio)propane-1,2-diol Formula: C9H13NO2S MolecularWeight: 199.27002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CSCC(CO)O

Isomeric SMILES

C1=CN=CC=C1CSCC(CO)O

InChI

InChI=1S/C9H13NO2S/c11-5-9(12)7-13-6-8-1-3-10-4-2-8/h1-4,9,11-12H,5-7H2