5-(4-bromophenyl)sulfanyl-N-(3-hydroxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-(4-bromophenyl)sulfanyl-N-(3-hydroxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-(4-bromophenyl)sulfanyl-N-(3-hydroxyphenyl)-2-(o-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-[(4-bromophenyl)thio]-N-(3-hydroxyphenyl)-2-[(2-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-(4-bromophenyl)sulfanyl-N-(3-hydroxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-[(4-bromophenyl)thio]-N-(3-hydroxyphenyl)-2-[(2-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C25H20BrN3O2S2 MolecularWeight: 538.4792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=CC(=CC=C3)O)SC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=CC(=CC=C3)O)SC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H20BrN3O2S2/c1-16-5-2-3-6-17(16)15-32-25-27-14-22(33-21-11-9-18(26)10-12-21)23(29-25)24(31)28-19-7-4-8-20(30)13-19/h2-14,30H,15H2,1H3,(H,28,31)