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

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-5-(2-cyclohexylethyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-5-(2-cyclohexylethyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(2-chloro-4-fluorophenyl)methylthio]-5-(2-cyclohexylethyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-(2-cyclohexylethyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(2-chloro-4-fluoro-benzyl)thio]-5-(2-cyclohexylethyl)-4-methyl-1,2,4-triazole Formula: C18H23ClFN3S MolecularWeight: 367.911723

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=C(C=C2)F)Cl)CCC3CCCCC3

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=C(C=C2)F)Cl)CCC3CCCCC3

InChI

InChI=1S/C18H23ClFN3S/c1-23-17(10-7-13-5-3-2-4-6-13)21-22-18(23)24-12-14-8-9-15(20)11-16(14)19/h8-9,11,13H,2-7,10,12H2,1H3