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

Systemtic Name: 2-[[4-azanyl-5-(4-bromanyl-2-chloranyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-(4-bromo-2-chloro-phenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-(4-bromo-2-chlorophenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-amino-5-(4-bromo-2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-amino-5-(4-bromo-2-chloro-phenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C10H8BrClN4O2S MolecularWeight: 363.61812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)Cl)C2=NN=C(N2N)SCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Br)Cl)C2=NN=C(N2N)SCC(=O)O

InChI

InChI=1S/C10H8BrClN4O2S/c11-5-1-2-6(7(12)3-5)9-14-15-10(16(9)13)19-4-8(17)18/h1-3H,4,13H2,(H,17,18)