3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C22H23BrFN3OS MolecularWeight: 476.404923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=C(C=C(C=C4)Br)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C22H23BrFN3OS/c1-28-19-11-8-15(9-12-19)21-25-26-22(27(21)18-5-3-2-4-6-18)29-14-16-7-10-17(23)13-20(16)24/h7-13,18H,2-6,14H2,1H3