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

Systemtic Name: N-(4-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(p-tolyl)-2-(p-tolylmethylsulfanyl)-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: N-(4-methylphenyl)-2-[(4-methylphenyl)methylthio]-5-[(4-methylphenyl)thio]-4-pyrimidinecarboxamide IUPAC Name: N-(4-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanylpyrimidine-4-carboxamide Traditional Name: 2-[(4-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)CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)C)SC4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)C)SC4=CC=C(C=C4)C

InChI

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