4-(5-tridecyl-1,3,4-thiadiazol-2-yl)benzoic acid

Systemtic Name: 4-(5-tridecyl-1,3,4-thiadiazol-2-yl)benzoic acid Openeye Name: 4-(5-tridecyl-1,3,4-thiadiazol-2-yl)benzoic acid CAS Name: 4-(5-tridecyl-1,3,4-thiadiazol-2-yl)benzoic acid IUPAC Name: 4-(5-tridecyl-1,3,4-thiadiazol-2-yl)benzoic acid Traditional Name: 4-(5-tridecyl-1,3,4-thiadiazol-2-yl)benzoic acid Formula: C22H32N2O2S MolecularWeight: 388.56668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C22H32N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-23-24-21(27-20)18-14-16-19(17-15-18)22(25)26/h14-17H,2-13H2,1H3,(H,25,26)