3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-oxidanyl-propanenitrile

Systemtic Name: 3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-oxidanyl-propanenitrile Openeye Name: 2-hydroxy-3-thiochroman-8-yloxy-propanenitrile CAS Name: 3-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)-2-hydroxypropanenitrile IUPAC Name: 3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-hydroxypropanenitrile Traditional Name: 2-hydroxy-3-thiochroman-8-yloxy-propionitrile Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=CC=C2)OCC(C#N)O)SC1

Isomeric SMILES

C1CC2=C(C(=CC=C2)OCC(C#N)O)SC1

InChI

InChI=1S/C12H13NO2S/c13-7-10(14)8-15-11-5-1-3-9-4-2-6-16-12(9)11/h1,3,5,10,14H,2,4,6,8H2