3-[6-azanyl-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(2-ethyl-6-methyl-phenyl)propanamide

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(2-ethyl-6-methyl-phenyl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]thio]-N-(2-ethyl-6-methylphenyl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]thio]-N-(2-ethyl-6-methyl-phenyl)propionamide Formula: C28H29N5O4S MolecularWeight: 531.62596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C3=CC(=C(C(=C3)OC)OC)OC)C#N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C3=CC(=C(C(=C3)OC)OC)OC)C#N)C

InChI

InChI=1S/C28H29N5O4S/c1-6-17-9-7-8-16(2)25(17)32-23(34)10-11-38-28-20(15-30)24(19(14-29)27(31)33-28)18-12-21(35-3)26(37-5)22(13-18)36-4/h7-9,12-13H,6,10-11H2,1-5H3,(H2,31,33)(H,32,34)