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

Systemtic Name: (2R)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(3-nitrophenyl)-3-oxidanylidene-N-prop-2-enyl-propanimidothioate Openeye Name: (2R)-N-allyl-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(3-nitrophenyl)-3-oxo-propanimidothioate CAS Name: (2R)-2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(3-nitrophenyl)-3-oxo-N-prop-2-enylpropanimidothioate IUPAC Name: (2R)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(3-nitrophenyl)-3-oxo-N-prop-2-enylpropanimidothioate Traditional Name: (2R)-N-allyl-2-(4-tert-butylpyridin-1-ium-1-yl)-3-keto-3-(3-nitrophenyl)thiopropionimidate Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-5-11-22-20(28)18(23-12-9-16(10-13-23)21(2,3)4)19(25)15-7-6-8-17(14-15)24(26)27/h5-10,12-14,18H,1,11H2,2-4H3/t18-/m1/s1