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

Systemtic Name: 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C15H12N4O2S MolecularWeight: 312.34638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C15H12N4O2S/c20-13(21)10-22-15-18-17-14(11-5-4-8-16-9-11)19(15)12-6-2-1-3-7-12/h1-9H,10H2,(H,20,21)