2-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzenecarbothioic S-acid

Systemtic Name: 2-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzenecarbothioic S-acid Openeye Name: 2-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)benzenecarbothioic S-acid CAS Name: 2-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzenecarbothioic S-acid IUPAC Name: 2-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzenecarbothioic S-acid Traditional Name: 2-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)thiobenzoic acid Formula: C9H6N2OS3 MolecularWeight: 254.35174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NNC(=S)S2)C(=O)S

Isomeric SMILES

C1=CC=C(C(=C1)C2=NNC(=S)S2)C(=O)S

InChI

InChI=1S/C9H6N2OS3/c12-8(13)6-4-2-1-3-5(6)7-10-11-9(14)15-7/h1-4H,(H,11,14)(H,12,13)