(2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-N-prop-2-enyl-propanimidothioate

Systemtic Name: (2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-N-prop-2-enyl-propanimidothioate Openeye Name: (2S)-N-allyl-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-methyl-3-nitro-phenyl)-3-oxo-propanimidothioate CAS Name: (2S)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-(4-methyl-3-nitrophenyl)-3-oxo-N-prop-2-enylpropanimidothioate IUPAC Name: (2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-methyl-3-nitrophenyl)-3-oxo-N-prop-2-enylpropanimidothioate Traditional Name: (2S)-N-allyl-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-keto-3-(4-methyl-3-nitro-phenyl)thiopropionimidate Formula: C20H22N4O3S MolecularWeight: 398.47868

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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=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-5-10-21-20(28)18(23-11-8-16(9-12-23)22(3)4)19(25)15-7-6-14(2)17(13-15)24(26)27/h5-9,11-13,18H,1,10H2,2-4H3/t18-/m0/s1