3-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]sulfanyl]-N-(2,4-dimethoxyphenyl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]thio]-N-(2,4-dimethoxyphenyl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]thio]-N-(2,4-dimethoxyphenyl)propionamide Formula: C26H25N5O3S MolecularWeight: 487.5734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=C(C=C(C=C3)OC)OC)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=C(C=C(C=C3)OC)OC)N)C#N

InChI

InChI=1S/C26H25N5O3S/c1-4-16-5-7-17(8-6-16)24-19(14-27)25(29)31-26(20(24)15-28)35-12-11-23(32)30-21-10-9-18(33-2)13-22(21)34-3/h5-10,13H,4,11-12H2,1-3H3,(H2,29,31)(H,30,32)