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

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(2-chloro-6-fluorophenyl)methylthio]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(2-chloro-6-fluoro-benzyl)thio]-1,3,4-thiadiazol-2-yl]-(4-methoxyphenyl)amine Formula: C16H13ClFN3OS2 MolecularWeight: 381.875323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C16H13ClFN3OS2/c1-22-11-7-5-10(6-8-11)19-15-20-21-16(24-15)23-9-12-13(17)3-2-4-14(12)18/h2-8H,9H2,1H3,(H,19,20)