N-(2-adamantyl)-1-(4-bromophenyl)-5-[(4-methylsulfanylphenyl)methoxy]pyrazole-4-carboxamide

Systemtic Name: N-(2-adamantyl)-1-(4-bromophenyl)-5-[(4-methylsulfanylphenyl)methoxy]pyrazole-4-carboxamide Openeye Name: N-(2-adamantyl)-1-(4-bromophenyl)-5-[(4-methylsulfanylphenyl)methoxy]pyrazole-4-carboxamide CAS Name: N-(2-adamantyl)-1-(4-bromophenyl)-5-[[4-(methylthio)phenyl]methoxy]-4-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-1-(4-bromophenyl)-5-[(4-methylsulfanylphenyl)methoxy]pyrazole-4-carboxamide Traditional Name: N-(2-adamantyl)-1-(4-bromophenyl)-5-[4-(methylthio)benzyl]oxy-pyrazole-4-carboxamide Formula: C28H30BrN3O2S MolecularWeight: 552.5257

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC2=C(C=NN2C3=CC=C(C=C3)Br)C(=O)NC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CSC1=CC=C(C=C1)COC2=C(C=NN2C3=CC=C(C=C3)Br)C(=O)NC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C28H30BrN3O2S/c1-35-24-8-2-17(3-9-24)16-34-28-25(15-30-32(28)23-6-4-22(29)5-7-23)27(33)31-26-20-11-18-10-19(13-20)14-21(26)12-18/h2-9,15,18-21,26H,10-14,16H2,1H3,(H,31,33)