(5-azanyl-1,3,4-thiadiazol-2-yl) 2-sulfanylidenebutanoate

Systemtic Name: (5-azanyl-1,3,4-thiadiazol-2-yl) 2-sulfanylidenebutanoate Openeye Name: (5-amino-1,3,4-thiadiazol-2-yl) 2-thioxobutanoate CAS Name: 2-sulfanylidenebutanoic acid (5-amino-1,3,4-thiadiazol-2-yl) ester IUPAC Name: (5-amino-1,3,4-thiadiazol-2-yl) 2-sulfanylidenebutanoate Traditional Name: 2-thioxobutyric acid (5-amino-1,3,4-thiadiazol-2-yl) ester Formula: C6H7N3O2S2 MolecularWeight: 217.26868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)C(=O)OC1=NN=C(S1)N

Isomeric SMILES

CCC(=S)C(=O)OC1=NN=C(S1)N

InChI

InChI=1S/C6H7N3O2S2/c1-2-3(12)4(10)11-6-9-8-5(7)13-6/h2H2,1H3,(H2,7,8)