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

Systemtic Name: methyl 3-[6-azanyl-3,5-dicyano-4-(4-methoxycarbonylphenyl)pyridin-2-yl]sulfanylbenzoate Openeye Name: methyl 3-[[6-amino-3,5-dicyano-4-(4-methoxycarbonylphenyl)-2-pyridyl]sulfanyl]benzoate CAS Name: 3-[[6-amino-3,5-dicyano-4-(4-methoxycarbonylphenyl)-2-pyridinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 3-[6-amino-3,5-dicyano-4-(4-methoxycarbonylphenyl)pyridin-2-yl]sulfanylbenzoate Traditional Name: 3-[[6-amino-4-(4-carbomethoxyphenyl)-3,5-dicyano-2-pyridyl]thio]benzoic acid methyl ester Formula: C23H16N4O4S MolecularWeight: 444.46254

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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=CC(=C3)C(=O)OC)N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H16N4O4S/c1-30-22(28)14-8-6-13(7-9-14)19-17(11-24)20(26)27-21(18(19)12-25)32-16-5-3-4-15(10-16)23(29)31-2/h3-10H,1-2H3,(H2,26,27)