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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-phenyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-4-phenyl-5-(2-thienyl)-1,2,4-triazole Formula: C19H13BrFN3S2 MolecularWeight: 446.359023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=C(C=C3)Br)F)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=C(C=C3)Br)F)C4=CC=CS4

InChI

InChI=1S/C19H13BrFN3S2/c20-14-9-8-13(16(21)11-14)12-26-19-23-22-18(17-7-4-10-25-17)24(19)15-5-2-1-3-6-15/h1-11H,12H2