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

Systemtic Name: (2R)-3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: (2R)-3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: (2R)-3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-3-oxo-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: (2R)-3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: (2R)-3-(4-chlorophenyl)-N-(4-fluorobenzyl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C21H16ClFN2OS MolecularWeight: 398.880943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClFN2OS/c22-17-8-6-16(7-9-17)20(26)19(25-12-2-1-3-13-25)21(27)24-14-15-4-10-18(23)11-5-15/h1-13,19H,14H2/t19-/m1/s1