3-(2-bromophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-N-prop-2-enyl-propanimidothioate

Systemtic Name: 3-(2-bromophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-N-prop-2-enyl-propanimidothioate Openeye Name: N-allyl-3-(2-bromophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-propanimidothioate CAS Name: 3-(2-bromophenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-oxo-N-prop-2-enylpropanimidothioate IUPAC Name: 3-(2-bromophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-N-prop-2-enylpropanimidothioate Traditional Name: N-allyl-3-(2-bromophenyl)-3-keto-2-(3-methylolpyridin-1-ium-1-yl)thiopropionimidate Formula: C18H17BrN2O2S MolecularWeight: 405.30878

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(C(C(=O)C1=CC=CC=C1Br)[N+]2=CC=CC(=C2)CO)[S-]

Isomeric SMILES

C=CCN=C(C(C(=O)C1=CC=CC=C1Br)[N+]2=CC=CC(=C2)CO)[S-]

InChI

InChI=1S/C18H17BrN2O2S/c1-2-9-20-18(24)16(21-10-5-6-13(11-21)12-22)17(23)14-7-3-4-8-15(14)19/h2-8,10-11,16,22H,1,9,12H2