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

Systemtic Name: (2R)-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: (2R)-N-allyl-3-(4-methyl-3-nitro-phenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: (2R)-3-(4-methyl-3-nitrophenyl)-3-oxo-N-prop-2-enyl-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: (2R)-3-(4-methyl-3-nitrophenyl)-3-oxo-N-prop-2-enyl-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: (2R)-N-allyl-3-keto-3-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C(=NCC=C)[S-])[N+]2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](C(=NCC=C)[S-])[N+]2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3S/c1-3-9-19-18(25)16(20-10-5-4-6-11-20)17(22)14-8-7-13(2)15(12-14)21(23)24/h3-8,10-12,16H,1,9H2,2H3/t16-/m1/s1