5-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine Openeye Name: N-benzyl-5-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(2-chloro-4-fluorophenyl)methylthio]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: N-benzyl-5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: benzyl-[5-[(2-chloro-4-fluoro-benzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C16H13ClFN3S2 MolecularWeight: 365.875923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN=C(S2)SCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN=C(S2)SCC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C16H13ClFN3S2/c17-14-8-13(18)7-6-12(14)10-22-16-21-20-15(23-16)19-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,19,20)