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

Systemtic Name: 2-[3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanoic acid Openeye Name: 2-[3-[(3-phenylisoxazol-5-yl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]acetic acid CAS Name: 2-[3-[(3-phenyl-5-isoxazolyl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetic acid IUPAC Name: 2-[3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetic acid Traditional Name: 2-[3-[(3-phenylisoxazol-5-yl)methylthio]-5-(2-thienyl)-1,2,4-triazol-4-yl]acetic acid Formula: C18H14N4O3S2 MolecularWeight: 398.45876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=C2)CSC3=NN=C(N3CC(=O)O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=C2)CSC3=NN=C(N3CC(=O)O)C4=CC=CS4

InChI

InChI=1S/C18H14N4O3S2/c23-16(24)10-22-17(15-7-4-8-26-15)19-20-18(22)27-11-13-9-14(21-25-13)12-5-2-1-3-6-12/h1-9H,10-11H2,(H,23,24)