2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C15H10ClN4O2S- MolecularWeight: 345.7835

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=NN=C2SCC(=O)[O-])C3=CC=NC=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=NN=C2SCC(=O)[O-])C3=CC=NC=C3)Cl

InChI

InChI=1S/C15H11ClN4O2S/c16-11-1-3-12(4-2-11)20-14(10-5-7-17-8-6-10)18-19-15(20)23-9-13(21)22/h1-8H,9H2,(H,21,22)/p-1