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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-thiophen-3-yl-pyridin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridyl]sulfanyl]-N-(4-sulfamoylphenyl)butanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(3-thiophenyl)-2-pyridinyl]thio]-N-(4-sulfamoylphenyl)butanamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-thiophen-3-ylpyridin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(3-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=CSC=C3)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=CSC=C3)C#N

InChI

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