3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-(2-thienyl)-1H-1,2,4-triazole CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-5-thiophen-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)thio]-5-(2-thienyl)-1H-1,2,4-triazole Formula: C13H9ClFN3S2 MolecularWeight: 325.812063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CSC2=NNC(=N2)C3=CC=CS3)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CSC2=NNC(=N2)C3=CC=CS3)F

InChI

InChI=1S/C13H9ClFN3S2/c14-9-3-1-4-10(15)8(9)7-20-13-16-12(17-18-13)11-5-2-6-19-11/h1-6H,7H2,(H,16,17,18)