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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-5-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazole CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-4-methyl-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole Traditional Name: 3-benzyl-5-[(4-bromo-2-fluoro-benzyl)thio]-4-methyl-1,2,4-triazole Formula: C17H15BrFN3S MolecularWeight: 392.288503

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=C(C=C2)Br)F)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=C(C=C2)Br)F)CC3=CC=CC=C3

InChI

InChI=1S/C17H15BrFN3S/c1-22-16(9-12-5-3-2-4-6-12)20-21-17(22)23-11-13-7-8-14(18)10-15(13)19/h2-8,10H,9,11H2,1H3