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

Systemtic Name: 3-(6-azanyl-3,5-dicyano-4-thiophen-3-yl-pyridin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridyl]sulfanyl]-N-(p-tolyl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(3-thiophenyl)-2-pyridinyl]thio]-N-(4-methylphenyl)propanamide IUPAC Name: 3-(6-amino-3,5-dicyano-4-thiophen-3-ylpyridin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridyl]thio]-N-(p-tolyl)propionamide Formula: C21H17N5OS2 MolecularWeight: 419.52258

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5OS2/c1-13-2-4-15(5-3-13)25-18(27)7-9-29-21-17(11-23)19(14-6-8-28-12-14)16(10-22)20(24)26-21/h2-6,8,12H,7,9H2,1H3,(H2,24,26)(H,25,27)