4-cyclohexyl-3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-(2-fluorophenyl)-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-(2-fluorophenyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-5-(2-fluorophenyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-[(3-fluoro-4-methoxyphenyl)methylthio]-5-(2-fluorophenyl)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-(2-fluorophenyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-[(3-fluoro-4-methoxy-benzyl)thio]-5-(2-fluorophenyl)-1,2,4-triazole Formula: C22H23F2N3OS MolecularWeight: 415.499326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4F)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4F)F

InChI

InChI=1S/C22H23F2N3OS/c1-28-20-12-11-15(13-19(20)24)14-29-22-26-25-21(17-9-5-6-10-18(17)23)27(22)16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3