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

Systemtic Name: 4-acetamido-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-acetamido-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-acetamido-N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-acetamido-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-acetamido-N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C19H15N5O2S2 MolecularWeight: 409.4847

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H15N5O2S2/c1-12(25)21-16-8-6-15(7-9-16)17(26)22-18-23-24-19(28-18)27-11-14-4-2-13(10-20)3-5-14/h2-9H,11H2,1H3,(H,21,25)(H,22,23,26)