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

Systemtic Name: 2-[[5-(5-methyl-1,2-oxazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(5-methylisoxazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(5-methyl-3-isoxazolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(5-methyl-1,2-oxazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(5-methylisoxazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O3S/c1-9-7-11(17-21-9)13-15-16-14(22-8-12(19)20)18(13)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,19,20)