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

Systemtic Name: methyl 4-[2-(4-acetamidophenyl)sulfanyl-6-azanyl-3,5-dicyano-pyridin-4-yl]benzoate Openeye Name: methyl 4-[2-(4-acetamidophenyl)sulfanyl-6-amino-3,5-dicyano-4-pyridyl]benzoate CAS Name: 4-[2-[(4-acetamidophenyl)thio]-6-amino-3,5-dicyano-4-pyridinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-acetamidophenyl)sulfanyl-6-amino-3,5-dicyanopyridin-4-yl]benzoate Traditional Name: 4-[2-[(4-acetamidophenyl)thio]-6-amino-3,5-dicyano-4-pyridyl]benzoic acid methyl ester Formula: C23H17N5O3S MolecularWeight: 443.47778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)C(=O)OC)C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)C(=O)OC)C#N

InChI

InChI=1S/C23H17N5O3S/c1-13(29)27-16-7-9-17(10-8-16)32-22-19(12-25)20(18(11-24)21(26)28-22)14-3-5-15(6-4-14)23(30)31-2/h3-10H,1-2H3,(H2,26,28)(H,27,29)