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

Systemtic Name: 3-[(3-fluorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3-fluorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(3-fluorophenyl)methylthio]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3-fluorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3-fluorobenzyl)thio]-5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazole Formula: C22H18FN3OS MolecularWeight: 391.461223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)F

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)F

InChI

InChI=1S/C22H18FN3OS/c1-27-20-13-6-5-12-19(20)21-24-25-22(26(21)18-10-3-2-4-11-18)28-15-16-8-7-9-17(23)14-16/h2-14H,15H2,1H3