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

Systemtic Name: (2R)-N-(furan-2-ylmethyl)-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: (2R)-N-(2-furylmethyl)-3-(4-methyl-3-nitro-phenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: (2R)-N-(2-furanylmethyl)-3-(4-methyl-3-nitrophenyl)-3-oxo-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: (2R)-N-(furan-2-ylmethyl)-3-(4-methyl-3-nitrophenyl)-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: (2R)-N-(2-furfuryl)-3-keto-3-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C(=NCC2=CC=CO2)[S-])[N+]3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](C(=NCC2=CC=CO2)[S-])[N+]3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O4S/c1-14-7-8-15(12-17(14)23(25)26)19(24)18(22-9-3-2-4-10-22)20(28)21-13-16-6-5-11-27-16/h2-12,18H,13H2,1H3/t18-/m1/s1