(2R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate

Systemtic Name: (2R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: (2R)-3-(4-chlorophenyl)-N-(2-furylmethyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: (2R)-3-(4-chlorophenyl)-N-(2-furanylmethyl)-3-oxo-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: (2R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: (2R)-3-(4-chlorophenyl)-N-(2-furfuryl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C19H15ClN2O2S MolecularWeight: 370.8526

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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=CO3)[S-]

Isomeric SMILES

C1=CC=[N+](C=C1)[C@H](C(=O)C2=CC=C(C=C2)Cl)C(=NCC3=CC=CO3)[S-]

InChI

InChI=1S/C19H15ClN2O2S/c20-15-8-6-14(7-9-15)18(23)17(22-10-2-1-3-11-22)19(25)21-13-16-5-4-12-24-16/h1-12,17H,13H2/t17-/m1/s1