(2S)-3-(2-bromophenyl)-N-(furan-2-ylmethyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide

Systemtic Name: (2S)-3-(2-bromophenyl)-N-(furan-2-ylmethyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: (2S)-3-(2-bromophenyl)-N-(2-furylmethyl)-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: (2S)-3-(2-bromophenyl)-N-(2-furanylmethyl)-3-oxo-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: (2S)-3-(2-bromophenyl)-N-(furan-2-ylmethyl)-3-oxo-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: (2S)-3-(2-bromophenyl)-N-(2-furfuryl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C19H16BrN2O2S+ MolecularWeight: 416.31154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(C(=O)C2=CC=CC=C2Br)C(=S)NCC3=CC=CO3

Isomeric SMILES

C1=CC=[N+](C=C1)[C@@H](C(=O)C2=CC=CC=C2Br)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C19H15BrN2O2S/c20-16-9-3-2-8-15(16)18(23)17(22-10-4-1-5-11-22)19(25)21-13-14-7-6-12-24-14/h1-12,17H,13H2/p+1/t17-/m0/s1