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

Systemtic Name: butyl 2-[6-azanyl-3,5-dicyano-4-(4-methoxyphenyl)pyridin-1-ium-2-yl]sulfanylethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C20H21N4O3S+ MolecularWeight: 397.47074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c1-3-4-9-27-17(25)12-28-20-16(11-22)18(15(10-21)19(23)24-20)13-5-7-14(26-2)8-6-13/h5-8H,3-4,9,12H2,1-2H3,(H2,23,24)/p+1