2-[[4-azanyl-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-azanyl-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C10H7Cl2N4O2S- MolecularWeight: 318.15918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=NN=C(N2N)SCC(=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C2=NN=C(N2N)SCC(=O)[O-])Cl)Cl

InChI

InChI=1S/C10H8Cl2N4O2S/c11-6-2-1-5(3-7(6)12)9-14-15-10(16(9)13)19-4-8(17)18/h1-3H,4,13H2,(H,17,18)/p-1