5-bromanyl-2-[(4-methylphenyl)methylsulfanyl]-N-(4-phenyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-2-[(4-methylphenyl)methylsulfanyl]-N-(4-phenyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide Openeye Name: 5-bromo-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-2-(p-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-bromo-2-[(4-methylphenyl)methylthio]-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-2-[(4-methylphenyl)methylsulfanyl]-N-(4-phenyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide Traditional Name: 5-bromo-2-[(4-methylbenzyl)thio]-N-(4-phenylfurazan-3-yl)pyrimidine-4-carboxamide Formula: C21H16BrN5O2S MolecularWeight: 482.35304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=NON=C3C4=CC=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=NON=C3C4=CC=CC=C4)Br

InChI

InChI=1S/C21H16BrN5O2S/c1-13-7-9-14(10-8-13)12-30-21-23-11-16(22)18(24-21)20(28)25-19-17(26-29-27-19)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,25,27,28)