2-[[5-[(4-propylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(4-propylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(4-propylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(4-propylanilino)-1,3,4-thiadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[5-(4-propylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(4-propylanilino)-1,3,4-thiadiazol-2-yl]thio]acetic acid Formula: C13H15N3O2S2 MolecularWeight: 309.4071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)O

InChI

InChI=1S/C13H15N3O2S2/c1-2-3-9-4-6-10(7-5-9)14-12-15-16-13(20-12)19-8-11(17)18/h4-7H,2-3,8H2,1H3,(H,14,15)(H,17,18)