4-[2-methyl-4-[(2,4,6-trimethylphenyl)amino]pyrimidin-5-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[2-methyl-4-[(2,4,6-trimethylphenyl)amino]pyrimidin-5-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[2-methyl-4-(2,4,6-trimethylanilino)pyrimidin-5-yl]sulfonylbenzonitrile CAS Name: 4-[[2-methyl-4-(2,4,6-trimethylanilino)-5-pyrimidinyl]sulfonyl]benzonitrile IUPAC Name: 4-[2-methyl-4-(2,4,6-trimethylanilino)pyrimidin-5-yl]sulfonylbenzonitrile Traditional Name: 4-(4-mesidino-2-methyl-pyrimidin-5-yl)sulfonylbenzonitrile Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2S(=O)(=O)C3=CC=C(C=C3)C#N)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2S(=O)(=O)C3=CC=C(C=C3)C#N)C)C

InChI

InChI=1S/C21H20N4O2S/c1-13-9-14(2)20(15(3)10-13)25-21-19(12-23-16(4)24-21)28(26,27)18-7-5-17(11-22)6-8-18/h5-10,12H,1-4H3,(H,23,24,25)