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

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

Systemtic Name:methyl 2-[6-azanyl-3,5-dicyano-4-(4-methoxyphenyl)pyridin-1-ium-2-yl]sulfanylethanoate
Openeye Name:methyl 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 methyl ester
IUPAC Name:methyl 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 methyl ester
Formula: C17H15N4O3S+
MolecularWeight: 355.391
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)OC)N)C#N


Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)OC)N)C#N


InChI

InChI=1S/C17H14N4O3S/c1-23-11-5-3-10(4-6-11)15-12(7-18)16(20)21-17(13(15)8-19)25-9-14(22)24-2/h3-6H,9H2,1-2H3,(H2,20,21)/p+1


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