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

Systemtic Name: 3-[[4-(4-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-(4-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-(4-chlorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[4-(4-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-(4-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C16H13ClN4O2S MolecularWeight: 360.81802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCCC(=O)O

InChI

InChI=1S/C16H13ClN4O2S/c17-12-3-5-13(6-4-12)21-15(11-2-1-8-18-10-11)19-20-16(21)24-9-7-14(22)23/h1-6,8,10H,7,9H2,(H,22,23)