2-[6-azanyl-4-(4-chlorophenyl)-3,5-dicyano-pyridin-2-yl]sulfanyl-N-(4-methoxyphenyl)ethanamide

Systemtic Name: 2-[6-azanyl-4-(4-chlorophenyl)-3,5-dicyano-pyridin-2-yl]sulfanyl-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[[6-amino-4-(4-chlorophenyl)-3,5-dicyano-2-pyridyl]sulfanyl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[[6-amino-4-(4-chlorophenyl)-3,5-dicyano-2-pyridinyl]thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[6-amino-4-(4-chlorophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[[6-amino-4-(4-chlorophenyl)-3,5-dicyano-2-pyridyl]thio]-N-(4-methoxyphenyl)acetamide Formula: C22H16ClN5O2S MolecularWeight: 449.91274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C22H16ClN5O2S/c1-30-16-8-6-15(7-9-16)27-19(29)12-31-22-18(11-25)20(17(10-24)21(26)28-22)13-2-4-14(23)5-3-13/h2-9H,12H2,1H3,(H2,26,28)(H,27,29)