4-[3,6-bis(azanyl)-5-cyano-4-phenyl-thieno[2,3-b]pyridin-2-yl]carbonyl-N-(6-chloranylpyridazin-3-yl)benzenesulfonamide

Systemtic Name: 4-[3,6-bis(azanyl)-5-cyano-4-phenyl-thieno[2,3-b]pyridin-2-yl]carbonyl-N-(6-chloranylpyridazin-3-yl)benzenesulfonamide Openeye Name: N-(6-chloropyridazin-3-yl)-4-(3,6-diamino-5-cyano-4-phenyl-thieno[2,3-b]pyridine-2-carbonyl)benzenesulfonamide CAS Name: N-(6-chloro-3-pyridazinyl)-4-[(3,6-diamino-5-cyano-4-phenyl-2-thieno[2,3-b]pyridinyl)-oxomethyl]benzenesulfonamide IUPAC Name: N-(6-chloropyridazin-3-yl)-4-(3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carbonyl)benzenesulfonamide Traditional Name: N-(6-chloropyridazin-3-yl)-4-(3,6-diamino-5-cyano-4-phenyl-thieno[2,3-b]pyridine-2-carbonyl)benzenesulfonamide Formula: C25H16ClN7O3S2 MolecularWeight: 562.02264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)C4=CC=C(C=C4)S(=O)(=O)NC5=NN=C(C=C5)Cl)N)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)C4=CC=C(C=C4)S(=O)(=O)NC5=NN=C(C=C5)Cl)N)N)C#N

InChI

InChI=1S/C25H16ClN7O3S2/c26-17-10-11-18(32-31-17)33-38(35,36)15-8-6-14(7-9-15)22(34)23-21(28)20-19(13-4-2-1-3-5-13)16(12-27)24(29)30-25(20)37-23/h1-11H,28H2,(H2,29,30)(H,32,33)