4-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[(1,1-dioxothiolan-3-yl)-methyl-amino]methyl]-3-fluoro-benzonitrile CAS Name: 4-[[(1,1-dioxo-3-thiolanyl)-methylamino]methyl]-3-fluorobenzonitrile IUPAC Name: 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-3-fluorobenzonitrile Traditional Name: 4-[[(1,1-diketothiolan-3-yl)-methyl-amino]methyl]-3-fluoro-benzonitrile Formula: C13H15FN2O2S MolecularWeight: 282.333803

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=C(C=C1)C#N)F)C2CCS(=O)(=O)C2

Isomeric SMILES

CN(CC1=C(C=C(C=C1)C#N)F)C2CCS(=O)(=O)C2

InChI

InChI=1S/C13H15FN2O2S/c1-16(12-4-5-19(17,18)9-12)8-11-3-2-10(7-15)6-13(11)14/h2-3,6,12H,4-5,8-9H2,1H3