3-[(2-fluoranylphenoxy)methyl]-5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(2-fluoranylphenoxy)methyl]-5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(2-fluorophenoxy)methyl]-4-phenyl-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(2-fluorophenoxy)methyl]-5-(2-oxanylmethylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(2-fluorophenoxy)methyl]-5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2-fluorophenoxy)methyl]-4-phenyl-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4F

Isomeric SMILES

C1CCOC(C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4F

InChI

InChI=1S/C21H22FN3O2S/c22-18-11-4-5-12-19(18)27-14-20-23-24-21(25(20)16-8-2-1-3-9-16)28-15-17-10-6-7-13-26-17/h1-5,8-9,11-12,17H,6-7,10,13-15H2