2-[[4-azaniumyl-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-azaniumyl-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-azaniumyl-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ammonio-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-azaniumyl-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ammonio-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C10H9ClN4O2S MolecularWeight: 284.72206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=NN=C(N2[NH3+])SCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=NN=C(N2[NH3+])SCC(=O)[O-]

InChI

InChI=1S/C10H9ClN4O2S/c11-7-3-1-2-6(4-7)9-13-14-10(15(9)12)18-5-8(16)17/h1-4H,5,12H2,(H,16,17)