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

Systemtic Name: 3-(6-azanyl-3,5-dicyano-4-thiophen-3-yl-pyridin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridyl]sulfanyl]-N-(2,4-dimethylphenyl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(3-thiophenyl)-2-pyridinyl]thio]-N-(2,4-dimethylphenyl)propanamide IUPAC Name: 3-(6-amino-3,5-dicyano-4-thiophen-3-ylpyridin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridyl]thio]-N-(2,4-dimethylphenyl)propionamide Formula: C22H19N5OS2 MolecularWeight: 433.54916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C3=CSC=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C3=CSC=C3)C#N)C

InChI

InChI=1S/C22H19N5OS2/c1-13-3-4-18(14(2)9-13)26-19(28)6-8-30-22-17(11-24)20(15-5-7-29-12-15)16(10-23)21(25)27-22/h3-5,7,9,12H,6,8H2,1-2H3,(H2,25,27)(H,26,28)