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

Systemtic Name: methyl 3-[6-azanyl-3,5-dicyano-4-(3-hydroxyphenyl)pyridin-2-yl]sulfanylbenzoate Openeye Name: methyl 3-[[6-amino-3,5-dicyano-4-(3-hydroxyphenyl)-2-pyridyl]sulfanyl]benzoate CAS Name: 3-[[6-amino-3,5-dicyano-4-(3-hydroxyphenyl)-2-pyridinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 3-[6-amino-3,5-dicyano-4-(3-hydroxyphenyl)pyridin-2-yl]sulfanylbenzoate Traditional Name: 3-[[6-amino-3,5-dicyano-4-(3-hydroxyphenyl)-2-pyridyl]thio]benzoic acid methyl ester Formula: C21H14N4O3S MolecularWeight: 402.42586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)SC2=C(C(=C(C(=N2)N)C#N)C3=CC(=CC=C3)O)C#N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)SC2=C(C(=C(C(=N2)N)C#N)C3=CC(=CC=C3)O)C#N

InChI

InChI=1S/C21H14N4O3S/c1-28-21(27)13-5-3-7-15(9-13)29-20-17(11-23)18(16(10-22)19(24)25-20)12-4-2-6-14(26)8-12/h2-9,26H,1H3,(H2,24,25)