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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC3=CC=C(C=C3)O)N)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC3=CC=C(C=C3)O)N)C#N

InChI

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