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

Systemtic Name: 2-[[4-azanyl-5-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-amino-5-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-amino-5-(4-bromobenzyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H11BrN4O2S MolecularWeight: 343.19964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NN=C(N2N)SCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CC2=NN=C(N2N)SCC(=O)O)Br

InChI

InChI=1S/C11H11BrN4O2S/c12-8-3-1-7(2-4-8)5-9-14-15-11(16(9)13)19-6-10(17)18/h1-4H,5-6,13H2,(H,17,18)