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

Systemtic Name: (2R)-N-(furan-2-ylmethyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-3-thiophen-2-yl-propanimidothioate Openeye Name: (2R)-N-(2-furylmethyl)-3-oxo-2-pyridin-1-ium-1-yl-3-(2-thienyl)propanimidothioate CAS Name: (2R)-N-(2-furanylmethyl)-3-oxo-2-(1-pyridin-1-iumyl)-3-thiophen-2-ylpropanimidothioate IUPAC Name: (2R)-N-(furan-2-ylmethyl)-3-oxo-2-pyridin-1-ium-1-yl-3-thiophen-2-ylpropanimidothioate Traditional Name: (2R)-N-(2-furfuryl)-3-keto-2-pyridin-1-ium-1-yl-3-(2-thienyl)thiopropionimidate Formula: C17H14N2O2S2 MolecularWeight: 342.43526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(C(=O)C2=CC=CS2)C(=NCC3=CC=CO3)[S-]

Isomeric SMILES

C1=CC=[N+](C=C1)[C@H](C(=O)C2=CC=CS2)C(=NCC3=CC=CO3)[S-]

InChI

InChI=1S/C17H14N2O2S2/c20-16(14-7-5-11-23-14)15(19-8-2-1-3-9-19)17(22)18-12-13-6-4-10-21-13/h1-11,15H,12H2/t15-/m1/s1