(2R)-3-(5-chloranylthiophen-2-yl)-N-[(4-fluorophenyl)methyl]-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate

Systemtic Name: (2R)-3-(5-chloranylthiophen-2-yl)-N-[(4-fluorophenyl)methyl]-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: (2R)-3-(5-chloro-2-thienyl)-N-[(4-fluorophenyl)methyl]-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: (2R)-3-(5-chloro-2-thiophenyl)-N-[(4-fluorophenyl)methyl]-3-oxo-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: (2R)-3-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: (2R)-3-(5-chloro-2-thienyl)-N-(4-fluorobenzyl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C19H14ClFN2OS2 MolecularWeight: 404.908663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(C(=O)C2=CC=C(S2)Cl)C(=NCC3=CC=C(C=C3)F)[S-]

Isomeric SMILES

C1=CC=[N+](C=C1)[C@H](C(=O)C2=CC=C(S2)Cl)C(=NCC3=CC=C(C=C3)F)[S-]

InChI

InChI=1S/C19H14ClFN2OS2/c20-16-9-8-15(26-16)18(24)17(23-10-2-1-3-11-23)19(25)22-12-13-4-6-14(21)7-5-13/h1-11,17H,12H2/t17-/m1/s1