N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)ethanamide

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)ethanamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)acetamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-[4-(1-oxopropyl)phenoxy]acetamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)acetamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-(4-propionylphenoxy)acetamide Formula: C21H18N4O3S2 MolecularWeight: 438.52262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H18N4O3S2/c1-2-18(26)16-7-9-17(10-8-16)28-12-19(27)23-20-24-25-21(30-20)29-13-15-5-3-14(11-22)4-6-15/h3-10H,2,12-13H2,1H3,(H,23,24,27)