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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=C(C=C(C=C3)Br)F

InChI

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