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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-cyclopropyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-4-cyclopropyl-5-(2-thienyl)-1,2,4-triazole Formula: C16H13BrFN3S2 MolecularWeight: 410.326923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=C(C=C(C=C3)Br)F)C4=CC=CS4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=C(C=C(C=C3)Br)F)C4=CC=CS4

InChI

InChI=1S/C16H13BrFN3S2/c17-11-4-3-10(13(18)8-11)9-23-16-20-19-15(14-2-1-7-22-14)21(16)12-5-6-12/h1-4,7-8,12H,5-6,9H2