4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3,5-dinitro-benzoic acid

Systemtic Name: 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3,5-dinitro-benzoic acid Openeye Name: 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3,5-dinitro-benzoic acid CAS Name: 4-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-3,5-dinitrobenzoic acid IUPAC Name: 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3,5-dinitrobenzoic acid Traditional Name: 4-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-3,5-dinitro-benzoic acid Formula: C10H6N4O6S2 MolecularWeight: 342.30784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(S1)SC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H6N4O6S2/c1-4-11-12-10(21-4)22-8-6(13(17)18)2-5(9(15)16)3-7(8)14(19)20/h2-3H,1H3,(H,15,16)