2-[6-azanyl-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(4-chloranyl-2,5-dimethoxy-phenyl)ethanamide

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(4-chloranyl-2,5-dimethoxy-phenyl)ethanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)-2-pyridyl]sulfanyl]-N-(4-chloro-2,5-dimethoxy-phenyl)acetamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)-2-pyridinyl]thio]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(4-chloro-2,5-dimethoxyphenyl)acetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)-2-pyridyl]thio]-N-(4-chloro-2,5-dimethoxy-phenyl)acetamide Formula: C25H22ClN5O5S MolecularWeight: 539.99068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)NC3=CC(=C(C=C3OC)Cl)OC)N)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)NC3=CC(=C(C=C3OC)Cl)OC)N)C#N)OC

InChI

InChI=1S/C25H22ClN5O5S/c1-33-18-6-5-13(7-21(18)36-4)23-14(10-27)24(29)31-25(15(23)11-28)37-12-22(32)30-17-9-19(34-2)16(26)8-20(17)35-3/h5-9H,12H2,1-4H3,(H2,29,31)(H,30,32)