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

Systemtic Name: 4-cyano-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-cyano-N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-cyano-N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-cyano-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-cyano-N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H14N4OS2 MolecularWeight: 366.45996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H14N4OS2/c1-12-2-4-14(5-3-12)11-24-18-22-21-17(25-18)20-16(23)15-8-6-13(10-19)7-9-15/h2-9H,11H2,1H3,(H,20,21,23)