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

Systemtic Name: 2-[[4-(3-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(3-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-chlorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(3-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-chlorophenyl)-5-(3-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(=C1)Cl)N2C(=NN=C2SCC(=O)[O-])C3=CN=CC=C3

Isomeric SMILES

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

InChI

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