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

Systemtic Name: 4-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[(1,1-dioxothiolan-3-yl)-methyl-amino]-3-fluoro-benzonitrile CAS Name: 4-[(1,1-dioxo-3-thiolanyl)-methylamino]-3-fluorobenzonitrile IUPAC Name: 4-[(1,1-dioxothiolan-3-yl)-methylamino]-3-fluorobenzonitrile Traditional Name: 4-[(1,1-diketothiolan-3-yl)-methyl-amino]-3-fluoro-benzonitrile Formula: C12H13FN2O2S MolecularWeight: 268.307223

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C2=C(C=C(C=C2)C#N)F

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C12H13FN2O2S/c1-15(10-4-5-18(16,17)8-10)12-3-2-9(7-14)6-11(12)13/h2-3,6,10H,4-5,8H2,1H3