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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridyl]sulfanyl]-N-(4-sulfamoylphenyl)butanamide CAS Name: 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)thio]-N-(4-sulfamoylphenyl)butanamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridyl]thio]-N-(4-sulfamoylphenyl)butyramide Formula: C21H18N6O3S3 MolecularWeight: 498.60102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CS3)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CS3)C#N

InChI

InChI=1S/C21H18N6O3S3/c1-2-16(20(28)26-12-5-7-13(8-6-12)33(25,29)30)32-21-15(11-23)18(17-4-3-9-31-17)14(10-22)19(24)27-21/h3-9,16H,2H2,1H3,(H2,24,27)(H,26,28)(H2,25,29,30)