(5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidene-pyridin-1-yl)methyl-[(3-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: (5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidene-pyridin-1-yl)methyl-[(3-fluorophenyl)methyl]-methyl-azanium Openeye Name: (5-cyano-3-ethoxycarbonyl-2-methyl-6-thioxo-1-pyridyl)methyl-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: (5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidene-1-pyridinyl)methyl-[(3-fluorophenyl)methyl]-methylammonium IUPAC Name: (5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidenepyridin-1-yl)methyl-[(3-fluorophenyl)methyl]-methylazanium Traditional Name: (3-carbethoxy-5-cyano-2-methyl-6-thioxo-1-pyridyl)methyl-(3-fluorobenzyl)-methyl-ammonium Formula: C19H21FN3O2S+ MolecularWeight: 374.452343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)C[NH+](C)CC2=CC(=CC=C2)F)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)C[NH+](C)CC2=CC(=CC=C2)F)C

InChI

InChI=1S/C19H20FN3O2S/c1-4-25-19(24)17-9-15(10-21)18(26)23(13(17)2)12-22(3)11-14-6-5-7-16(20)8-14/h5-9H,4,11-12H2,1-3H3/p+1