(2S)-3-(4-ethylphenyl)-N-(furan-2-ylmethyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide

Systemtic Name: (2S)-3-(4-ethylphenyl)-N-(furan-2-ylmethyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: (2S)-3-(4-ethylphenyl)-N-(2-furylmethyl)-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: (2S)-3-(4-ethylphenyl)-N-(2-furanylmethyl)-3-oxo-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: (2S)-3-(4-ethylphenyl)-N-(furan-2-ylmethyl)-3-oxo-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: (2S)-3-(4-ethylphenyl)-N-(2-furfuryl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C21H21N2O2S+ MolecularWeight: 365.46864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C(=S)NCC2=CC=CO2)[N+]3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@@H](C(=S)NCC2=CC=CO2)[N+]3=CC=CC=C3

InChI

InChI=1S/C21H20N2O2S/c1-2-16-8-10-17(11-9-16)20(24)19(23-12-4-3-5-13-23)21(26)22-15-18-7-6-14-25-18/h3-14,19H,2,15H2,1H3/p+1/t19-/m0/s1