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

Systemtic Name: 3-(6-azanyl-3,5-dicyano-4-thiophen-3-yl-pyridin-2-yl)sulfanyl-N-(2-ethyl-6-methyl-phenyl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridyl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(3-thiophenyl)-2-pyridinyl]thio]-N-(2-ethyl-6-methylphenyl)propanamide IUPAC Name: 3-(6-amino-3,5-dicyano-4-thiophen-3-ylpyridin-2-yl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridyl]thio]-N-(2-ethyl-6-methyl-phenyl)propionamide Formula: C23H21N5OS2 MolecularWeight: 447.57574

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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=CSC=C3)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5OS2/c1-3-15-6-4-5-14(2)21(15)27-19(29)8-10-31-23-18(12-25)20(16-7-9-30-13-16)17(11-24)22(26)28-23/h4-7,9,13H,3,8,10H2,1-2H3,(H2,26,28)(H,27,29)