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

Systemtic Name: 2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]thio]acetate Formula: C10H6Cl2N3O2S- MolecularWeight: 303.14454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)C2=NC(=NN2)SCC(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)C2=NC(=NN2)SCC(=O)[O-]

InChI

InChI=1S/C10H7Cl2N3O2S/c11-5-1-2-6(7(12)3-5)9-13-10(15-14-9)18-4-8(16)17/h1-3H,4H2,(H,16,17)(H,13,14,15)/p-1