N-ethyl-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-propanethioamide

Systemtic Name: N-ethyl-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-propanethioamide Openeye Name: N-ethyl-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-(4-methyl-3-nitro-phenyl)-3-oxo-propanethioamide CAS Name: N-ethyl-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-(4-methyl-3-nitrophenyl)-3-oxopropanethioamide IUPAC Name: N-ethyl-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-(4-methyl-3-nitrophenyl)-3-oxopropanethioamide Traditional Name: N-ethyl-3-keto-3-(4-methyl-3-nitro-phenyl)-2-(3-methylolpyridin-1-ium-1-yl)thiopropionamide Formula: C18H20N3O4S+ MolecularWeight: 374.4341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-3-19-18(26)16(20-8-4-5-13(10-20)11-22)17(23)14-7-6-12(2)15(9-14)21(24)25/h4-10,16,22H,3,11H2,1-2H3/p+1