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

Systemtic Name: (5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidene-pyridin-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Openeye Name: (5-cyano-3-ethoxycarbonyl-2-methyl-6-thioxo-1-pyridyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium CAS Name: (5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidene-1-pyridinyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium IUPAC Name: (5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidenepyridin-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Traditional Name: (3-carbethoxy-5-cyano-2-methyl-6-thioxo-1-pyridyl)methyl-methyl-[4-(methylcarbamoyl)benzyl]ammonium Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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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=C(C=C2)C(=O)NC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-5-28-21(27)18-10-17(11-22)20(29)25(14(18)2)13-24(4)12-15-6-8-16(9-7-15)19(26)23-3/h6-10H,5,12-13H2,1-4H3,(H,23,26)/p+1