(2S)-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-3-(2,4,5-trimethylphenyl)propanimidothioate

Systemtic Name: (2S)-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-3-(2,4,5-trimethylphenyl)propanimidothioate Openeye Name: (2S)-N-allyl-3-oxo-2-pyridin-1-ium-1-yl-3-(2,4,5-trimethylphenyl)propanimidothioate CAS Name: (2S)-3-oxo-N-prop-2-enyl-2-(1-pyridin-1-iumyl)-3-(2,4,5-trimethylphenyl)propanimidothioate IUPAC Name: (2S)-3-oxo-N-prop-2-enyl-2-pyridin-1-ium-1-yl-3-(2,4,5-trimethylphenyl)propanimidothioate Traditional Name: (2S)-N-allyl-3-keto-2-pyridin-1-ium-1-yl-3-(2,4,5-trimethylphenyl)thiopropionimidate Formula: C20H22N2OS MolecularWeight: 338.46648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C(=NCC=C)[S-])[N+]2=CC=CC=C2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)[C@@H](C(=NCC=C)[S-])[N+]2=CC=CC=C2)C)C

InChI

InChI=1S/C20H22N2OS/c1-5-9-21-20(24)18(22-10-7-6-8-11-22)19(23)17-13-15(3)14(2)12-16(17)4/h5-8,10-13,18H,1,9H2,2-4H3/t18-/m0/s1