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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole Formula: C21H15BrFN3S MolecularWeight: 440.331303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrFN3S/c22-17-10-6-15(7-11-17)14-27-21-25-24-20(16-8-12-18(23)13-9-16)26(21)19-4-2-1-3-5-19/h1-13H,14H2