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

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(2-methylphenyl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]sulfanyl]-N-(o-tolyl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]thio]-N-(2-methylphenyl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(2-methylphenyl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]thio]-N-(o-tolyl)propionamide Formula: C26H25N5O4S MolecularWeight: 503.5728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C3=CC(=C(C(=C3)OC)OC)OC)C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C3=CC(=C(C(=C3)OC)OC)OC)C#N

InChI

InChI=1S/C26H25N5O4S/c1-15-7-5-6-8-19(15)30-22(32)9-10-36-26-18(14-28)23(17(13-27)25(29)31-26)16-11-20(33-2)24(35-4)21(12-16)34-3/h5-8,11-12H,9-10H2,1-4H3,(H2,29,31)(H,30,32)