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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)C3CCCCC3

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)C3CCCCC3

InChI

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