N-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-2-methylsulfonyl-pyrimidine-4-carboxamide

Systemtic Name: N-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-2-methylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 2-methylsulfonyl-N-(p-tolyl)-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: N-(4-methylphenyl)-5-[(4-methylphenyl)thio]-2-methylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: N-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-2-methylsulfonylpyrimidine-4-carboxamide Traditional Name: 2-mesyl-N-(p-tolyl)-5-(p-tolylthio)pyrimidine-4-carboxamide Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)C)S(=O)(=O)C

InChI

InChI=1S/C20H19N3O3S2/c1-13-4-8-15(9-5-13)22-19(24)18-17(12-21-20(23-18)28(3,25)26)27-16-10-6-14(2)7-11-16/h4-12H,1-3H3,(H,22,24)