N-[4-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]thiophene-2-sulfonamide

Systemtic Name: N-[4-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]thiophene-2-sulfonamide Openeye Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]thiophene-2-sulfonamide CAS Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-2-thiophenesulfonamide IUPAC Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]thiophene-2-sulfonamide Traditional Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-keto-1H-pyrimidin-6-yl]phenyl]thiophene-2-sulfonamide Formula: C21H14ClN5O3S2 MolecularWeight: 483.95056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C21H14ClN5O3S2/c22-14-5-9-15(10-6-14)24-21-25-19(17(12-23)20(28)26-21)13-3-7-16(8-4-13)27-32(29,30)18-2-1-11-31-18/h1-11,27H,(H2,24,25,26,28)