tert-butyl 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C20H26BrN3O2S MolecularWeight: 452.40834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H26BrN3O2S/c1-20(2,3)26-17(25)13-27-19-23-22-18(14-9-11-15(21)12-10-14)24(19)16-7-5-4-6-8-16/h9-12,16H,4-8,13H2,1-3H3