1-(4-bromophenyl)-2-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-bromophenyl)-2-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C29H28BrN3O2S MolecularWeight: 562.52052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C29H28BrN3O2S/c30-24-15-11-23(12-16-24)27(34)20-36-29-32-31-28(33(29)25-9-5-2-6-10-25)19-35-26-17-13-22(14-18-26)21-7-3-1-4-8-21/h2,5-6,9-18,21H,1,3-4,7-8,19-20H2