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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)butanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]sulfanyl]-N-(4-sulfamoylphenyl)butanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]thio]-N-(4-sulfamoylphenyl)butanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)butanamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]thio]-N-(4-sulfamoylphenyl)butyramide Formula: C25H24N6O3S2 MolecularWeight: 520.62646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC(CC)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC(CC)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N)N)C#N

InChI

InChI=1S/C25H24N6O3S2/c1-3-15-5-7-16(8-6-15)22-19(13-26)23(28)31-25(20(22)14-27)35-21(4-2)24(32)30-17-9-11-18(12-10-17)36(29,33)34/h5-12,21H,3-4H2,1-2H3,(H2,28,31)(H,30,32)(H2,29,33,34)