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

Systemtic Name: 2-(4-butylphenyl)-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: 2-(4-butylphenyl)-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide CAS Name: 2-(4-butylphenyl)-N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: 2-(4-butylphenyl)-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide Traditional Name: 2-(4-butylphenyl)-N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]acetamide Formula: C22H22N4OS2 MolecularWeight: 422.56628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H22N4OS2/c1-2-3-4-16-5-7-17(8-6-16)13-20(27)24-21-25-26-22(29-21)28-15-19-11-9-18(14-23)10-12-19/h5-12H,2-4,13,15H2,1H3,(H,24,25,27)