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

Systemtic Name: 3-(6-azanyl-3,5-dicyano-4-thiophen-3-yl-pyridin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridyl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(3-thiophenyl)-2-pyridinyl]thio]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 3-(6-amino-3,5-dicyano-4-thiophen-3-ylpyridin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridyl]thio]-N-(4-sulfamoylphenyl)propionamide Formula: C20H16N6O3S3 MolecularWeight: 484.57444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C3=CSC=C3)C#N)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C3=CSC=C3)C#N)S(=O)(=O)N

InChI

InChI=1S/C20H16N6O3S3/c21-9-15-18(12-5-7-30-11-12)16(10-22)20(26-19(15)23)31-8-6-17(27)25-13-1-3-14(4-2-13)32(24,28)29/h1-5,7,11H,6,8H2,(H2,23,26)(H,25,27)(H2,24,28,29)