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

Systemtic Name: 3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1-sulfonate Openeye Name: 3-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1-sulfonate CAS Name: 3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]-1-propanesulfonate IUPAC Name: 3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1-sulfonate Traditional Name: 3-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]propane-1-sulfonate Formula: C11H11N2O3S4- MolecularWeight: 347.47664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=S)SC(=N2)SCCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=S)SC(=N2)SCCCS(=O)(=O)[O-]

InChI

InChI=1S/C11H12N2O3S4/c14-20(15,16)8-4-7-18-10-12-13(11(17)19-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,15,16)/p-1