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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-methyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-4-methyl-5-(2-thenyl)-1,2,4-triazole Formula: C15H13BrFN3S2 MolecularWeight: 398.316223

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=C(C=C2)Br)F)CC3=CC=CS3

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=C(C=C2)Br)F)CC3=CC=CS3

InChI

InChI=1S/C15H13BrFN3S2/c1-20-14(8-12-3-2-6-21-12)18-19-15(20)22-9-10-4-5-11(16)7-13(10)17/h2-7H,8-9H2,1H3