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

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-[(5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidene-pyridin-1-yl)methyl]-methyl-azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-[(5-cyano-3-ethoxycarbonyl-2-methyl-6-thioxo-1-pyridyl)methyl]-methyl-ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-[(5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidene-1-pyridinyl)methyl]-methylammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-[(5-cyano-3-ethoxycarbonyl-2-methyl-6-sulfanylidenepyridin-1-yl)methyl]-methylazanium Traditional Name: (3-carbethoxy-5-cyano-2-methyl-6-thioxo-1-pyridyl)methyl-(5-chloro-2-methoxy-benzyl)-methyl-ammonium Formula: C20H23ClN3O3S+ MolecularWeight: 420.93292

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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=C(C=CC(=C2)Cl)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3S/c1-5-27-20(25)17-9-14(10-22)19(28)24(13(17)2)12-23(3)11-15-8-16(21)6-7-18(15)26-4/h6-9H,5,11-12H2,1-4H3/p+1