(2R)-3-(3-nitrophenyl)-3-oxidanylidene-N-prop-2-enyl-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate

Systemtic Name: (2R)-3-(3-nitrophenyl)-3-oxidanylidene-N-prop-2-enyl-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate Openeye Name: (2R)-N-allyl-3-(3-nitrophenyl)-3-oxo-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate CAS Name: (2R)-3-(3-nitrophenyl)-3-oxo-N-prop-2-enyl-2-(4-propyl-1-pyridin-1-iumyl)propanimidothioate IUPAC Name: (2R)-3-(3-nitrophenyl)-3-oxo-N-prop-2-enyl-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate Traditional Name: (2R)-N-allyl-3-keto-3-(3-nitrophenyl)-2-(4-propylpyridin-1-ium-1-yl)thiopropionimidate Formula: C20H21N3O3S MolecularWeight: 383.46404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)C(C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=NCC=C)[S-]

Isomeric SMILES

CCCC1=CC=[N+](C=C1)[C@H](C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=NCC=C)[S-]

InChI

InChI=1S/C20H21N3O3S/c1-3-6-15-9-12-22(13-10-15)18(20(27)21-11-4-2)19(24)16-7-5-8-17(14-16)23(25)26/h4-5,7-10,12-14,18H,2-3,6,11H2,1H3/t18-/m1/s1