(2S)-N-(furan-2-ylmethyl)-3-(4-methylphenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate

Systemtic Name: (2S)-N-(furan-2-ylmethyl)-3-(4-methylphenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: (2S)-N-(2-furylmethyl)-3-oxo-3-(p-tolyl)-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: (2S)-N-(2-furanylmethyl)-3-(4-methylphenyl)-3-oxo-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: (2S)-N-(furan-2-ylmethyl)-3-(4-methylphenyl)-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: (2S)-N-(2-furfuryl)-3-keto-3-(p-tolyl)-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C(=NCC2=CC=CO2)[S-])[N+]3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@@H](C(=NCC2=CC=CO2)[S-])[N+]3=CC=CC=C3

InChI

InChI=1S/C20H18N2O2S/c1-15-7-9-16(10-8-15)19(23)18(22-11-3-2-4-12-22)20(25)21-14-17-6-5-13-24-17/h2-13,18H,14H2,1H3/t18-/m0/s1