3-quinolin-8-ylsulfanylpropane-1,2-diol

Systemtic Name: 3-quinolin-8-ylsulfanylpropane-1,2-diol Openeye Name: 3-(8-quinolylsulfanyl)propane-1,2-diol CAS Name: 3-(8-quinolinylthio)propane-1,2-diol IUPAC Name: 3-quinolin-8-ylsulfanylpropane-1,2-diol Traditional Name: 3-(8-quinolylthio)propane-1,2-diol Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SCC(CO)O)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SCC(CO)O)N=CC=C2

InChI

InChI=1S/C12H13NO2S/c14-7-10(15)8-16-11-5-1-3-9-4-2-6-13-12(9)11/h1-6,10,14-15H,7-8H2