N-(4-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-(4-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-(o-tolylmethylsulfanyl)-N-(p-tolyl)-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: N-(4-methylphenyl)-2-[(2-methylphenyl)methylthio]-5-[(4-methylphenyl)thio]-4-pyrimidinecarboxamide IUPAC Name: N-(4-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanylpyrimidine-4-carboxamide Traditional Name: 2-[(2-methylbenzyl)thio]-N-(p-tolyl)-5-(p-tolylthio)pyrimidine-4-carboxamide Formula: C27H25N3OS2 MolecularWeight: 471.6369

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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)SCC4=CC=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)C)SCC4=CC=CC=C4C

InChI

InChI=1S/C27H25N3OS2/c1-18-8-12-22(13-9-18)29-26(31)25-24(33-23-14-10-19(2)11-15-23)16-28-27(30-25)32-17-21-7-5-4-6-20(21)3/h4-16H,17H2,1-3H3,(H,29,31)