4-(2-azanylidene-5-ethanoyl-1,3,4-thiadiazol-3-yl)benzoic acid

Systemtic Name: 4-(2-azanylidene-5-ethanoyl-1,3,4-thiadiazol-3-yl)benzoic acid Openeye Name: 4-(5-acetyl-2-imino-1,3,4-thiadiazol-3-yl)benzoic acid CAS Name: 4-(5-acetyl-2-imino-1,3,4-thiadiazol-3-yl)benzoic acid IUPAC Name: 4-(5-acetyl-2-imino-1,3,4-thiadiazol-3-yl)benzoic acid Traditional Name: 4-(5-acetyl-2-imino-1,3,4-thiadiazol-3-yl)benzoic acid Formula: C11H9N3O3S MolecularWeight: 263.27246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C(=N)S1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(=O)C1=NN(C(=N)S1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C11H9N3O3S/c1-6(15)9-13-14(11(12)18-9)8-4-2-7(3-5-8)10(16)17/h2-5,12H,1H3,(H,16,17)