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

Systemtic Name: 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C16H11ClN3O2S- MolecularWeight: 344.79544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NNC(=N2)C3=CC=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NNC(=N2)C3=CC=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C16H12ClN3O2S/c17-13-7-5-11(6-8-13)14-18-16(20-19-14)23-9-10-1-3-12(4-2-10)15(21)22/h1-8H,9H2,(H,21,22)(H,18,19,20)/p-1