2-[[5-(5-methyl-1,2-oxazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid

Systemtic Name: 2-[[5-(5-methyl-1,2-oxazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 2-[[5-(5-methylisoxazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 2-[[5-(5-methyl-3-isoxazolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 2-[[5-(5-methyl-1,2-oxazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 2-[[5-(5-methylisoxazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionic acid Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C2=NN=C(N2C3=CC=CC=C3)SC(C)C(=O)O

Isomeric SMILES

CC1=CC(=NO1)C2=NN=C(N2C3=CC=CC=C3)SC(C)C(=O)O

InChI

InChI=1S/C15H14N4O3S/c1-9-8-12(18-22-9)13-16-17-15(23-10(2)14(20)21)19(13)11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,20,21)