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

Systemtic Name: 3-(3-bromophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(3-bromophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(3-bromophenyl)-5-[(4-fluorophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(3-bromophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(3-bromophenyl)-5-[(4-fluorobenzyl)thio]-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)F)C4=CC(=CC=C4)Br

Isomeric SMILES

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

InChI

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