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

Systemtic Name: 3-[3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid Openeye Name: 3-[3-[(3-phenylisoxazol-5-yl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]propanoic acid CAS Name: 3-[3-[(3-phenyl-5-isoxazolyl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid IUPAC Name: 3-[3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid Traditional Name: 3-[3-[(3-phenylisoxazol-5-yl)methylthio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionic acid Formula: C19H16N4O3S2 MolecularWeight: 412.48534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=C2)CSC3=NN=C(N3CCC(=O)O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=C2)CSC3=NN=C(N3CCC(=O)O)C4=CC=CS4

InChI

InChI=1S/C19H16N4O3S2/c24-17(25)8-9-23-18(16-7-4-10-27-16)20-21-19(23)28-12-14-11-15(22-26-14)13-5-2-1-3-6-13/h1-7,10-11H,8-9,12H2,(H,24,25)