(5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidene-pyridin-1-yl)methyl-cyclopropyl-[(4-fluorophenyl)methyl]azanium

Systemtic Name: (5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidene-pyridin-1-yl)methyl-cyclopropyl-[(4-fluorophenyl)methyl]azanium Openeye Name: (5-cyano-3-ethoxycarbonyl-2-methyl-6-thioxo-1-pyridyl)methyl-cyclopropyl-[(4-fluorophenyl)methyl]ammonium CAS Name: (5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidene-1-pyridinyl)methyl-cyclopropyl-[(4-fluorophenyl)methyl]ammonium IUPAC Name: (5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidenepyridin-1-yl)methyl-cyclopropyl-[(4-fluorophenyl)methyl]azanium Traditional Name: (3-carbethoxy-5-cyano-2-methyl-6-thioxo-1-pyridyl)methyl-cyclopropyl-(4-fluorobenzyl)ammonium Formula: C21H23FN3O2S+ MolecularWeight: 400.489623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)C[NH+](CC2=CC=C(C=C2)F)C3CC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)C[NH+](CC2=CC=C(C=C2)F)C3CC3)C

InChI

InChI=1S/C21H22FN3O2S/c1-3-27-21(26)19-10-16(11-23)20(28)25(14(19)2)13-24(18-8-9-18)12-15-4-6-17(22)7-5-15/h4-7,10,18H,3,8-9,12-13H2,1-2H3/p+1