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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H15BrFN3S/c1-11-4-3-5-12(8-11)16-20-21-17(22(16)2)23-10-13-6-7-14(18)9-15(13)19/h3-9H,10H2,1-2H3