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

Systemtic Name: 3-[[[1,1-bis(oxidanylidene)thian-4-yl]amino]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[(1,1-dioxothian-4-yl)amino]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[(1,1-dioxo-4-thianyl)amino]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[(1,1-dioxothian-4-yl)amino]methyl]-4-fluorobenzonitrile Traditional Name: 3-[[(1,1-diketothian-4-yl)amino]methyl]-4-fluoro-benzonitrile Formula: C13H15FN2O2S MolecularWeight: 282.333803

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NCC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

C1CS(=O)(=O)CCC1NCC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C13H15FN2O2S/c14-13-2-1-10(8-15)7-11(13)9-16-12-3-5-19(17,18)6-4-12/h1-2,7,12,16H,3-6,9H2