3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-cyclohexyl-5-methyl-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-cyclohexyl-5-methyl-1,2,4-triazole Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-cyclohexyl-5-methyl-1,2,4-triazole CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-4-cyclohexyl-5-methyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-cyclohexyl-5-methyl-1,2,4-triazole Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)thio]-4-cyclohexyl-5-methyl-1,2,4-triazole Formula: C16H19ClFN3S MolecularWeight: 339.858563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C16H19ClFN3S/c1-11-19-20-16(21(11)12-6-3-2-4-7-12)22-10-13-14(17)8-5-9-15(13)18/h5,8-9,12H,2-4,6-7,10H2,1H3