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

Systemtic Name: 2-[4-(4-thiocyanato-1,2,5-thiadiazol-3-yl)phenyl]ethanoic acid Openeye Name: 2-[4-(4-thiocyanato-1,2,5-thiadiazol-3-yl)phenyl]acetic acid CAS Name: 2-[4-(4-thiocyanato-1,2,5-thiadiazol-3-yl)phenyl]acetic acid IUPAC Name: 2-[4-(4-thiocyanato-1,2,5-thiadiazol-3-yl)phenyl]acetic acid Traditional Name: 2-[4-(4-thiocyanato-1,2,5-thiadiazol-3-yl)phenyl]acetic acid Formula: C11H7N3O2S2 MolecularWeight: 277.32218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)C2=NSN=C2SC#N

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)C2=NSN=C2SC#N

InChI

InChI=1S/C11H7N3O2S2/c12-6-17-11-10(13-18-14-11)8-3-1-7(2-4-8)5-9(15)16/h1-4H,5H2,(H,15,16)