(2R)-3-(3,4-dimethylphenyl)-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-propanimidothioate

Systemtic Name: (2R)-3-(3,4-dimethylphenyl)-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: (2R)-N-allyl-3-(3,4-dimethylphenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: (2R)-3-(3,4-dimethylphenyl)-3-oxo-N-prop-2-enyl-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: (2R)-3-(3,4-dimethylphenyl)-3-oxo-N-prop-2-enyl-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: (2R)-N-allyl-3-(3,4-dimethylphenyl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C19H20N2OS MolecularWeight: 324.4399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C(=NCC=C)[S-])[N+]2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](C(=NCC=C)[S-])[N+]2=CC=CC=C2)C

InChI

InChI=1S/C19H20N2OS/c1-4-10-20-19(23)17(21-11-6-5-7-12-21)18(22)16-9-8-14(2)15(3)13-16/h4-9,11-13,17H,1,10H2,2-3H3/t17-/m1/s1