(2S)-N-ethyl-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate

Systemtic Name: (2S)-N-ethyl-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate Openeye Name: (2S)-N-ethyl-3-(4-methyl-3-nitro-phenyl)-3-oxo-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate CAS Name: (2S)-N-ethyl-3-(4-methyl-3-nitrophenyl)-3-oxo-2-(4-propyl-1-pyridin-1-iumyl)propanimidothioate IUPAC Name: (2S)-N-ethyl-3-(4-methyl-3-nitrophenyl)-3-oxo-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate Traditional Name: (2S)-N-ethyl-3-keto-3-(4-methyl-3-nitro-phenyl)-2-(4-propylpyridin-1-ium-1-yl)thiopropionimidate Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)C(C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C(=NCC)[S-]

Isomeric SMILES

CCCC1=CC=[N+](C=C1)[C@@H](C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C(=NCC)[S-]

InChI

InChI=1S/C20H23N3O3S/c1-4-6-15-9-11-22(12-10-15)18(20(27)21-5-2)19(24)16-8-7-14(3)17(13-16)23(25)26/h7-13,18H,4-6H2,1-3H3/t18-/m0/s1