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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-5-methyl-4-(m-tolyl)-1,2,4-triazole CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-5-methyl-4-(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)N2C(=NN=C2SCC3=C(C=C(C=C3)Br)F)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=C(C=C(C=C3)Br)F)C

InChI

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