4-[2-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl]benzenesulfonamide CAS Name: 4-[2-[[6-(4-chlorophenyl)-5-cyano-2-(methylthio)-4-pyrimidinyl]amino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[[6-(4-chlorophenyl)-5-cyano-2-(methylthio)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide Formula: C20H18ClN5O2S2 MolecularWeight: 459.97222

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)NCCC2=CC=C(C=C2)S(=O)(=O)N)C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CSC1=NC(=C(C(=N1)NCCC2=CC=C(C=C2)S(=O)(=O)N)C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN5O2S2/c1-29-20-25-18(14-4-6-15(21)7-5-14)17(12-22)19(26-20)24-11-10-13-2-8-16(9-3-13)30(23,27)28/h2-9H,10-11H2,1H3,(H2,23,27,28)(H,24,25,26)