2-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)carbamoyl]benzoic acid Openeye Name: 2-[(5-thioxo-1H-1,2,4-triazol-4-yl)carbamoyl]benzoic acid CAS Name: 2-[oxo-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]benzoic acid IUPAC Name: 2-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)carbamoyl]benzoic acid Traditional Name: 2-[(5-thioxo-1H-1,2,4-triazol-4-yl)carbamoyl]benzoic acid Formula: C10H8N4O3S MolecularWeight: 264.26052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NN2C=NNC2=S)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NN2C=NNC2=S)C(=O)O

InChI

InChI=1S/C10H8N4O3S/c15-8(13-14-5-11-12-10(14)18)6-3-1-2-4-7(6)9(16)17/h1-5H,(H,12,18)(H,13,15)(H,16,17)