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

Systemtic Name: 2-[3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]ethanoic acid Openeye Name: 2-[3-[(3-phenylisoxazol-5-yl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]acetic acid CAS Name: 2-[3-[(3-phenyl-5-isoxazolyl)methylthio]-5-propyl-1,2,4-triazol-4-yl]acetic acid IUPAC Name: 2-[3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]acetic acid Traditional Name: 2-[3-[(3-phenylisoxazol-5-yl)methylthio]-5-propyl-1,2,4-triazol-4-yl]acetic acid Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(=O)O)SCC2=CC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CCCC1=NN=C(N1CC(=O)O)SCC2=CC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C17H18N4O3S/c1-2-6-15-18-19-17(21(15)10-16(22)23)25-11-13-9-14(20-24-13)12-7-4-3-5-8-12/h3-5,7-9H,2,6,10-11H2,1H3,(H,22,23)