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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-ethyl-5-(2-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-ethyl-5-(o-tolyl)-1,2,4-triazole CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-4-ethyl-5-(2-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-ethyl-5-(2-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-4-ethyl-5-(o-tolyl)-1,2,4-triazole Formula: C18H17BrFN3S MolecularWeight: 406.315083

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C=C(C=C2)Br)F)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C=C(C=C2)Br)F)C3=CC=CC=C3C

InChI

InChI=1S/C18H17BrFN3S/c1-3-23-17(15-7-5-4-6-12(15)2)21-22-18(23)24-11-13-8-9-14(19)10-16(13)20/h4-10H,3,11H2,1-2H3