4-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]benzenecarbonitrile

Systemtic Name: 4-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]benzenecarbonitrile Openeye Name: 4-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-amino]benzonitrile CAS Name: 4-[[(3S)-1,1-dioxo-3-thiolanyl]-ethylamino]benzonitrile IUPAC Name: 4-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]benzonitrile Traditional Name: 4-[[(3S)-1,1-diketothiolan-3-yl]-ethyl-amino]benzonitrile Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCN([C@H]1CCS(=O)(=O)C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H16N2O2S/c1-2-15(13-7-8-18(16,17)10-13)12-5-3-11(9-14)4-6-12/h3-6,13H,2,7-8,10H2,1H3/t13-/m0/s1