2-[[5-[(2,6-diethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-[(2,6-diethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]thio]acetate IUPAC Name: 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]thio]acetate Formula: C14H16N3O2S2- MolecularWeight: 322.42574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC2=NN=C(S2)SCC(=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC2=NN=C(S2)SCC(=O)[O-]

InChI

InChI=1S/C14H17N3O2S2/c1-3-9-6-5-7-10(4-2)12(9)15-13-16-17-14(21-13)20-8-11(18)19/h5-7H,3-4,8H2,1-2H3,(H,15,16)(H,18,19)/p-1