ethyl 4-[6-azanyl-4-(4-chlorophenyl)-3,5-dicyano-pyridin-1-ium-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[6-azanyl-4-(4-chlorophenyl)-3,5-dicyano-pyridin-1-ium-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[6-amino-4-(4-chlorophenyl)-3,5-dicyano-pyridin-1-ium-2-yl]sulfanyl-3-oxo-butanoate CAS Name: 4-[[6-amino-4-(4-chlorophenyl)-3,5-dicyano-2-pyridin-1-iumyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[6-amino-4-(4-chlorophenyl)-3,5-dicyanopyridin-1-ium-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[6-amino-4-(4-chlorophenyl)-3,5-dicyano-pyridin-1-ium-2-yl]thio]-3-keto-butyric acid ethyl ester Formula: C19H16ClN4O3S+ MolecularWeight: 415.87334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C19H15ClN4O3S/c1-2-27-16(26)7-13(25)10-28-19-15(9-22)17(14(8-21)18(23)24-19)11-3-5-12(20)6-4-11/h3-6H,2,7,10H2,1H3,(H2,23,24)/p+1