2,2-dideuterio-3-(2-pyridin-3-yl-1,3-dithian-2-yl)propanal

Systemtic Name: 2,2-dideuterio-3-(2-pyridin-3-yl-1,3-dithian-2-yl)propanal Openeye Name: 2,2-dideuterio-3-[2-(3-pyridyl)-1,3-dithian-2-yl]propanal CAS Name: 2,2-dideuterio-3-[2-(3-pyridinyl)-1,3-dithian-2-yl]propanal IUPAC Name: 2,2-dideuterio-3-(2-pyridin-3-yl-1,3-dithian-2-yl)propanal Traditional Name: 2,2-dideuterio-3-[2-(3-pyridyl)-1,3-dithian-2-yl]propionaldehyde Formula: C12H15NOS2 MolecularWeight: 255.395924

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)(CCC=O)C2=CN=CC=C2

Isomeric SMILES

[2H]C([2H])(CC1(SCCCS1)C2=CN=CC=C2)C=O

InChI

InChI=1S/C12H15NOS2/c14-7-2-5-12(15-8-3-9-16-12)11-4-1-6-13-10-11/h1,4,6-7,10H,2-3,5,8-9H2/i2D2