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

Systemtic Name: methyl 2-[6-azanyl-3,5-dicyano-4-(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[[6-amino-3,5-dicyano-4-(4-methoxyphenyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-methoxyphenyl)-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[6-amino-3,5-dicyano-4-(4-methoxyphenyl)-2-pyridyl]thio]acetic acid methyl ester Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)OC)N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=NC(=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)