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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN(C(=N2)C3CCCCC3)C4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN(C(=N2)C3CCCCC3)C4=CC=CC=C4)F

InChI

InChI=1S/C22H24FN3OS/c1-27-20-13-12-16(14-19(20)23)15-28-22-24-21(17-8-4-2-5-9-17)26(25-22)18-10-6-3-7-11-18/h3,6-7,10-14,17H,2,4-5,8-9,15H2,1H3