3-[2-(4-bromophenyl)-2-oxidanyl-3-(1,2,4-triazol-1-yl)propyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(4-bromophenyl)-2-oxidanyl-3-(1,2,4-triazol-1-yl)propyl]sulfanylpropanoic acid Openeye Name: 3-[2-(4-bromophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]sulfanylpropanoic acid CAS Name: 3-[[2-(4-bromophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]thio]propanoic acid IUPAC Name: 3-[2-(4-bromophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(4-bromophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]thio]propionic acid Formula: C14H16BrN3O3S MolecularWeight: 386.26414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CN2C=NC=N2)(CSCCC(=O)O)O)Br

Isomeric SMILES

C1=CC(=CC=C1C(CN2C=NC=N2)(CSCCC(=O)O)O)Br

InChI

InChI=1S/C14H16BrN3O3S/c15-12-3-1-11(2-4-12)14(21,7-18-10-16-9-17-18)8-22-6-5-13(19)20/h1-4,9-10,21H,5-8H2,(H,19,20)