ethyl 2-[6-azanyl-3,5-dicyano-4-(4-methoxyphenyl)pyridin-1-ium-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[6-azanyl-3,5-dicyano-4-(4-methoxyphenyl)pyridin-1-ium-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-1-ium-2-yl]sulfanylacetate CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-methoxyphenyl)-2-pyridin-1-iumyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-1-ium-2-yl]sulfanylacetate Traditional Name: 2-[[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-1-ium-2-yl]thio]acetic acid ethyl ester Formula: C18H17N4O3S+ MolecularWeight: 369.41758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O3S/c1-3-25-15(23)10-26-18-14(9-20)16(13(8-19)17(21)22-18)11-4-6-12(24-2)7-5-11/h4-7H,3,10H2,1-2H3,(H2,21,22)/p+1