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

Systemtic Name: cyclohexyl 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C17H20BrN3O2S MolecularWeight: 410.3286

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)OC2CCCCC2)C3=CC=CC=C3Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)OC2CCCCC2)C3=CC=CC=C3Br

InChI

InChI=1S/C17H20BrN3O2S/c1-21-16(13-9-5-6-10-14(13)18)19-20-17(21)24-11-15(22)23-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3