(2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-nitrophenyl)-3-oxidanylidene-N-prop-2-enyl-propanimidothioate

Systemtic Name: (2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-nitrophenyl)-3-oxidanylidene-N-prop-2-enyl-propanimidothioate Openeye Name: (2R)-N-allyl-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-nitrophenyl)-3-oxo-propanimidothioate CAS Name: (2R)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-(4-nitrophenyl)-3-oxo-N-prop-2-enylpropanimidothioate IUPAC Name: (2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-nitrophenyl)-3-oxo-N-prop-2-enylpropanimidothioate Traditional Name: (2R)-N-allyl-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-keto-3-(4-nitrophenyl)thiopropionimidate Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S/c1-4-11-20-19(27)17(22-12-9-15(10-13-22)21(2)3)18(24)14-5-7-16(8-6-14)23(25)26/h4-10,12-13,17H,1,11H2,2-3H3/t17-/m1/s1