4-cyclohexyl-3-[(3-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-[(3-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-[(3-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-[(3-fluorophenyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-[(3-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-[(3-fluorobenzyl)thio]-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C22H24FN3OS MolecularWeight: 397.508863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=CC(=CC=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=CC(=CC=C4)F

InChI

InChI=1S/C22H24FN3OS/c1-27-20-12-10-17(11-13-20)21-24-25-22(26(21)19-8-3-2-4-9-19)28-15-16-6-5-7-18(23)14-16/h5-7,10-14,19H,2-4,8-9,15H2,1H3