(2S)-3-(3-bromophenyl)-N-ethyl-3-oxidanylidene-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate

Systemtic Name: (2S)-3-(3-bromophenyl)-N-ethyl-3-oxidanylidene-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate Openeye Name: (2S)-3-(3-bromophenyl)-N-ethyl-3-oxo-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate CAS Name: (2S)-3-(3-bromophenyl)-N-ethyl-3-oxo-2-(4-propyl-1-pyridin-1-iumyl)propanimidothioate IUPAC Name: (2S)-3-(3-bromophenyl)-N-ethyl-3-oxo-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate Traditional Name: (2S)-3-(3-bromophenyl)-N-ethyl-3-keto-2-(4-propylpyridin-1-ium-1-yl)thiopropionimidate Formula: C19H21BrN2OS MolecularWeight: 405.35184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2OS/c1-3-6-14-9-11-22(12-10-14)17(19(24)21-4-2)18(23)15-7-5-8-16(20)13-15/h5,7-13,17H,3-4,6H2,1-2H3/t17-/m0/s1