3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(2-chloro-4-fluorophenyl)methylthio]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2-chloro-4-fluoro-benzyl)thio]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole Formula: C21H14ClF2N3S MolecularWeight: 413.870766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=C(C=C3)F)Cl)C4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=C(C=C3)F)Cl)C4=CC(=CC=C4)F

InChI

InChI=1S/C21H14ClF2N3S/c22-19-12-17(24)10-9-15(19)13-28-21-26-25-20(14-5-4-6-16(23)11-14)27(21)18-7-2-1-3-8-18/h1-12H,13H2