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

Systemtic Name: methyl 3-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanylbenzoate Openeye Name: methyl 3-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]sulfanyl]benzoate CAS Name: 3-[[6-amino-3,5-dicyano-4-(2-furanyl)-2-pyridinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 3-[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanylbenzoate Traditional Name: 3-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]thio]benzoic acid methyl ester Formula: C19H12N4O3S MolecularWeight: 376.38858

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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=CO3)C#N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N

InChI

InChI=1S/C19H12N4O3S/c1-25-19(24)11-4-2-5-12(8-11)27-18-14(10-21)16(15-6-3-7-26-15)13(9-20)17(22)23-18/h2-8H,1H3,(H2,22,23)