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

Systemtic Name: 4-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]-3-fluoranyl-benzenecarboximidamide Openeye Name: 4-[[(1,1-dioxothiolan-3-yl)-methyl-amino]methyl]-3-fluoro-benzamidine CAS Name: 4-[[(1,1-dioxo-3-thiolanyl)-methylamino]methyl]-3-fluorobenzenecarboximidamide IUPAC Name: 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-3-fluorobenzenecarboximidamide Traditional Name: 4-[[(1,1-diketothiolan-3-yl)-methyl-amino]methyl]-3-fluoro-benzamidine Formula: C13H18FN3O2S MolecularWeight: 299.364323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18FN3O2S/c1-17(11-4-5-20(18,19)8-11)7-10-3-2-9(13(15)16)6-12(10)14/h2-3,6,11H,4-5,7-8H2,1H3,(H3,15,16)