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

Systemtic Name: 2-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetate Formula: C16H10Cl2N3O2S- MolecularWeight: 379.2405

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H11Cl2N3O2S/c17-10-6-7-12(13(18)8-10)15-19-20-16(24-9-14(22)23)21(15)11-4-2-1-3-5-11/h1-8H,9H2,(H,22,23)/p-1