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

Systemtic Name: 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid Openeye Name: 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid CAS Name: 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid IUPAC Name: 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid Traditional Name: 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NOC(=N2)CSC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CC1C2=NOC(=N2)CSC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C13H12N2O3S/c16-13(17)9-3-5-10(6-4-9)19-7-11-14-12(15-18-11)8-1-2-8/h3-6,8H,1-2,7H2,(H,16,17)