2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)benzoic acid

Systemtic Name: 2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)benzoic acid Openeye Name: 2-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)benzoic acid CAS Name: 2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)benzoic acid IUPAC Name: 2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)benzoic acid Traditional Name: 2-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)benzoic acid Formula: C9H7N3O2S MolecularWeight: 221.23578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=S)NN2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=S)NN2)C(=O)O

InChI

InChI=1S/C9H7N3O2S/c13-8(14)6-4-2-1-3-5(6)7-10-9(15)12-11-7/h1-4H,(H,13,14)(H2,10,11,12,15)