3-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 3-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C16H10Cl2N3O2S- MolecularWeight: 379.2405

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NNC(=N2)C3=C(C=C(C=C3)Cl)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NNC(=N2)C3=C(C=C(C=C3)Cl)Cl)C(=O)[O-]

InChI

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