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

Systemtic Name: cyclohexyl 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-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=C(C=C3)Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)OC2CCCCC2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H20BrN3O2S/c1-21-16(12-7-9-13(18)10-8-12)19-20-17(21)24-11-15(22)23-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3