5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(2-chloro-6-fluorophenyl)methylthio]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(2-chloro-6-fluoro-benzyl)thio]-1,3,4-thiadiazol-2-yl]-(4-phenoxyphenyl)amine Formula: C21H15ClFN3OS2 MolecularWeight: 443.944703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN=C(S3)SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN=C(S3)SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H15ClFN3OS2/c22-18-7-4-8-19(23)17(18)13-28-21-26-25-20(29-21)24-14-9-11-16(12-10-14)27-15-5-2-1-3-6-15/h1-12H,13H2,(H,24,25)