3-[[(3S)-2-oxidanylidenethian-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[(3S)-2-oxidanylidenethian-3-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[(3S)-2-oxotetrahydrothiopyran-3-yl]methyl]benzonitrile CAS Name: 3-[[(3S)-2-oxo-3-thianyl]methyl]benzonitrile IUPAC Name: 3-[[(3S)-2-oxothian-3-yl]methyl]benzonitrile Traditional Name: 3-[[(3S)-2-ketotetrahydrothiopyran-3-yl]methyl]benzonitrile Formula: C13H13NOS MolecularWeight: 231.31342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)SC1)CC2=CC=CC(=C2)C#N

Isomeric SMILES

C1C[C@H](C(=O)SC1)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H13NOS/c14-9-11-4-1-3-10(7-11)8-12-5-2-6-16-13(12)15/h1,3-4,7,12H,2,5-6,8H2/t12-/m0/s1