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

Systemtic Name: (2R)-N-(furan-2-ylmethyl)-3-(4-nitrophenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: (2R)-N-(2-furylmethyl)-3-(4-nitrophenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: (2R)-N-(2-furanylmethyl)-3-(4-nitrophenyl)-3-oxo-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: (2R)-N-(furan-2-ylmethyl)-3-(4-nitrophenyl)-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: (2R)-N-(2-furfuryl)-3-keto-3-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O4S/c23-18(14-6-8-15(9-7-14)22(24)25)17(21-10-2-1-3-11-21)19(27)20-13-16-5-4-12-26-16/h1-12,17H,13H2/t17-/m1/s1