1-(1-benzofuran-2-yl)-2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(1-benzofuran-2-yl)-2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(benzofuran-2-yl)-2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2-benzofuranyl)-2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-benzofuran-2-yl)-2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(benzofuran-2-yl)-2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C24H22BrN3O2S MolecularWeight: 496.41938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)C3=CC4=CC=CC=C4O3)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)C3=CC4=CC=CC=C4O3)C5=CC=C(C=C5)Br

InChI

InChI=1S/C24H22BrN3O2S/c25-18-12-10-16(11-13-18)23-26-27-24(28(23)19-7-2-1-3-8-19)31-15-20(29)22-14-17-6-4-5-9-21(17)30-22/h4-6,9-14,19H,1-3,7-8,15H2