(5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidene-pyridin-1-yl)methyl-ethyl-(phenylmethyl)azanium

Systemtic Name: (5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidene-pyridin-1-yl)methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[(5-cyano-3-ethoxycarbonyl-2-methyl-6-thioxo-1-pyridyl)methyl]-ethyl-ammonium CAS Name: (5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidene-1-pyridinyl)methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidenepyridin-1-yl)methyl]-ethylazanium Traditional Name: benzyl-[(3-carbethoxy-5-cyano-2-methyl-6-thioxo-1-pyridyl)methyl]-ethyl-ammonium Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CN2C(=C(C=C(C2=S)C#N)C(=O)OCC)C

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CN2C(=C(C=C(C2=S)C#N)C(=O)OCC)C

InChI

InChI=1S/C20H23N3O2S/c1-4-22(13-16-9-7-6-8-10-16)14-23-15(3)18(20(24)25-5-2)11-17(12-21)19(23)26/h6-11H,4-5,13-14H2,1-3H3/p+1