2-[4-[4-(thiocyanatomethylsulfanyl)-1,2,5-thiadiazol-3-yl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[4-(thiocyanatomethylsulfanyl)-1,2,5-thiadiazol-3-yl]phenyl]ethanoic acid Openeye Name: 2-[4-[4-(thiocyanatomethylsulfanyl)-1,2,5-thiadiazol-3-yl]phenyl]acetic acid CAS Name: 2-[4-[4-(thiocyanatomethylthio)-1,2,5-thiadiazol-3-yl]phenyl]acetic acid IUPAC Name: 2-[4-[4-(thiocyanatomethylsulfanyl)-1,2,5-thiadiazol-3-yl]phenyl]acetic acid Traditional Name: 2-[4-[4-(thiocyanatomethylthio)-1,2,5-thiadiazol-3-yl]phenyl]acetic acid Formula: C12H9N3O2S3 MolecularWeight: 323.41376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)C2=NSN=C2SCSC#N

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)C2=NSN=C2SCSC#N

InChI

InChI=1S/C12H9N3O2S3/c13-6-18-7-19-12-11(14-20-15-12)9-3-1-8(2-4-9)5-10(16)17/h1-4H,5,7H2,(H,16,17)