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

Systemtic Name: 2-[[4-azanyl-5-(5-bromanylfuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-(5-bromo-2-furanyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-amino-5-(5-bromofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-amino-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C8H7BrN4O3S MolecularWeight: 319.13518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)Br)C2=NN=C(N2N)SCC(=O)O

Isomeric SMILES

C1=C(OC(=C1)Br)C2=NN=C(N2N)SCC(=O)O

InChI

InChI=1S/C8H7BrN4O3S/c9-5-2-1-4(16-5)7-11-12-8(13(7)10)17-3-6(14)15/h1-2H,3,10H2,(H,14,15)