(2S)-3-(2-chlorophenyl)-N-ethyl-3-oxidanylidene-2-(4-pentan-3-ylpyridin-1-ium-1-yl)propanimidothioate

Systemtic Name: (2S)-3-(2-chlorophenyl)-N-ethyl-3-oxidanylidene-2-(4-pentan-3-ylpyridin-1-ium-1-yl)propanimidothioate Openeye Name: (2S)-3-(2-chlorophenyl)-N-ethyl-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-3-oxo-propanimidothioate CAS Name: (2S)-3-(2-chlorophenyl)-N-ethyl-3-oxo-2-(4-pentan-3-yl-1-pyridin-1-iumyl)propanimidothioate IUPAC Name: (2S)-3-(2-chlorophenyl)-N-ethyl-3-oxo-2-(4-pentan-3-ylpyridin-1-ium-1-yl)propanimidothioate Traditional Name: (2S)-3-(2-chlorophenyl)-N-ethyl-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-3-keto-thiopropionimidate Formula: C21H25ClN2OS MolecularWeight: 388.954

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)C(C(=O)C2=CC=CC=C2Cl)C(=NCC)[S-]

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)[C@@H](C(=O)C2=CC=CC=C2Cl)C(=NCC)[S-]

InChI

InChI=1S/C21H25ClN2OS/c1-4-15(5-2)16-11-13-24(14-12-16)19(21(26)23-6-3)20(25)17-9-7-8-10-18(17)22/h7-15,19H,4-6H2,1-3H3/t19-/m0/s1