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

Systemtic Name: 4-[2-[[5-cyano-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[[5-cyano-2-methylsulfanyl-6-(p-tolyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide CAS Name: 4-[2-[[5-cyano-6-(4-methylphenyl)-2-(methylthio)-4-pyrimidinyl]amino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[[5-cyano-6-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[[5-cyano-2-(methylthio)-6-(p-tolyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCCC3=CC=C(C=C3)S(=O)(=O)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCCC3=CC=C(C=C3)S(=O)(=O)N)C#N

InChI

InChI=1S/C21H21N5O2S2/c1-14-3-7-16(8-4-14)19-18(13-22)20(26-21(25-19)29-2)24-12-11-15-5-9-17(10-6-15)30(23,27)28/h3-10H,11-12H2,1-2H3,(H2,23,27,28)(H,24,25,26)