2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid IUPAC Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=N2)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=N2)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H12N2O3S/c19-16(20)12-8-4-5-9-13(12)22-10-14-17-15(18-21-14)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20)