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

Systemtic Name: 5-(4-bromophenyl)sulfanyl-N-(4-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-(4-bromophenyl)sulfanyl-2-(o-tolylmethylsulfanyl)-N-(p-tolyl)pyrimidine-4-carboxamide CAS Name: 5-[(4-bromophenyl)thio]-N-(4-methylphenyl)-2-[(2-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-(4-bromophenyl)sulfanyl-N-(4-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-[(4-bromophenyl)thio]-2-[(2-methylbenzyl)thio]-N-(p-tolyl)pyrimidine-4-carboxamide Formula: C26H22BrN3OS2 MolecularWeight: 536.50638

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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)Br)SCC4=CC=CC=C4C

Isomeric SMILES

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

InChI

InChI=1S/C26H22BrN3OS2/c1-17-7-11-21(12-8-17)29-25(31)24-23(33-22-13-9-20(27)10-14-22)15-28-26(30-24)32-16-19-6-4-3-5-18(19)2/h3-15H,16H2,1-2H3,(H,29,31)