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

Systemtic Name: 1-(1-adamantyl)-2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C26H32BrN3OS MolecularWeight: 514.52078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)Br

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)Br

InChI

InChI=1S/C26H32BrN3OS/c27-21-8-6-20(7-9-21)24-28-29-25(30(24)22-4-2-1-3-5-22)32-16-23(31)26-13-17-10-18(14-26)12-19(11-17)15-26/h6-9,17-19,22H,1-5,10-16H2