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

Systemtic Name: 2-[[5-(2-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(2-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(2-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(2-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(2-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C16H18BrN3O2S MolecularWeight: 396.30202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)O)C3=CC=CC=C3Br

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)O)C3=CC=CC=C3Br

InChI

InChI=1S/C16H18BrN3O2S/c17-13-9-5-4-8-12(13)15-18-19-16(23-10-14(21)22)20(15)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,21,22)