2-[[5-[(3-bromanylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(3-bromanylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(3-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(3-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(3-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(3-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C17H14BrN3O3S MolecularWeight: 420.28036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)COC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)COC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H14BrN3O3S/c18-12-5-4-8-14(9-12)24-10-15-19-20-17(25-11-16(22)23)21(15)13-6-2-1-3-7-13/h1-9H,10-11H2,(H,22,23)