3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]propanoic acid IUPAC Name: 3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]propionic acid Formula: C11H10N2O2S3 MolecularWeight: 298.4043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=S)SC(=N2)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=S)SC(=N2)SCCC(=O)O

InChI

InChI=1S/C11H10N2O2S3/c14-9(15)6-7-17-10-12-13(11(16)18-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)