4-[[5-(4-nitrophenyl)sulfonyl-1,3,4-thiadiazol-2-yl]amino]-4-sulfanylidene-butanoic acid

Systemtic Name: 4-[[5-(4-nitrophenyl)sulfonyl-1,3,4-thiadiazol-2-yl]amino]-4-sulfanylidene-butanoic acid Openeye Name: 4-[[5-(4-nitrophenyl)sulfonyl-1,3,4-thiadiazol-2-yl]amino]-4-thioxo-butanoic acid CAS Name: 4-[[5-(4-nitrophenyl)sulfonyl-1,3,4-thiadiazol-2-yl]amino]-4-sulfanylidenebutanoic acid IUPAC Name: 4-[[5-(4-nitrophenyl)sulfonyl-1,3,4-thiadiazol-2-yl]amino]-4-sulfanylidenebutanoic acid Traditional Name: 4-[(5-nosyl-1,3,4-thiadiazol-2-yl)amino]-4-thioxo-butyric acid Formula: C12H10N4O6S3 MolecularWeight: 402.426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=NN=C(S2)NC(=S)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=NN=C(S2)NC(=S)CCC(=O)O

InChI

InChI=1S/C12H10N4O6S3/c17-10(18)6-5-9(23)13-11-14-15-12(24-11)25(21,22)8-3-1-7(2-4-8)16(19)20/h1-4H,5-6H2,(H,17,18)(H,13,14,23)