5-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(5-thioxo-2H-tetrazol-1-yl)benzene-1,3-dicarboxylic acid CAS Name: 5-(5-sulfanylidene-2H-tetrazol-1-yl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(5-sulfanylidene-2H-tetrazol-1-yl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(5-thioxo-2H-tetrazol-1-yl)isophthalic acid Formula: C9H6N4O4S MolecularWeight: 266.23334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)O)N2C(=S)N=NN2)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(=O)O)N2C(=S)N=NN2)C(=O)O

InChI

InChI=1S/C9H6N4O4S/c14-7(15)4-1-5(8(16)17)3-6(2-4)13-9(18)10-11-12-13/h1-3H,(H,14,15)(H,16,17)(H,10,12,18)