(5-methyl-2-propan-2-yl-cyclohexyl) 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C20H25BrN2O3S MolecularWeight: 453.3931

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NN=C(O2)C3=CC=CC=C3Br)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=NN=C(O2)C3=CC=CC=C3Br)C(C)C

InChI

InChI=1S/C20H25BrN2O3S/c1-12(2)14-9-8-13(3)10-17(14)25-18(24)11-27-20-23-22-19(26-20)15-6-4-5-7-16(15)21/h4-7,12-14,17H,8-11H2,1-3H3