2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-propanimidothioate

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-propanimidothioate Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-(4-methyl-3-nitro-phenyl)-3-oxo-propanimidothioate CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-N-ethyl-3-(4-methyl-3-nitrophenyl)-3-oxopropanimidothioate IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-(4-methyl-3-nitrophenyl)-3-oxopropanimidothioate Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-keto-3-(4-methyl-3-nitro-phenyl)thiopropionimidate Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN=C(C(C(=O)C1=CC(=C(C=C1)C)[N+](=O)[O-])[N+]2=CC=C(C=C2)C(C)(C)C)[S-]

Isomeric SMILES

CCN=C(C(C(=O)C1=CC(=C(C=C1)C)[N+](=O)[O-])[N+]2=CC=C(C=C2)C(C)(C)C)[S-]

InChI

InChI=1S/C21H25N3O3S/c1-6-22-20(28)18(23-11-9-16(10-12-23)21(3,4)5)19(25)15-8-7-14(2)17(13-15)24(26)27/h7-13,18H,6H2,1-5H3