5-(2-butoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(2-butoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(2-butoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(2-butoxyphenyl)-3-[(4-fluorophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(2-butoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(2-butoxyphenyl)-3-[(4-fluorobenzyl)thio]-1H-1,2,4-triazole Formula: C19H20FN3OS MolecularWeight: 357.445003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2=NC(=NN2)SCC3=CC=C(C=C3)F

Isomeric SMILES

CCCCOC1=CC=CC=C1C2=NC(=NN2)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C19H20FN3OS/c1-2-3-12-24-17-7-5-4-6-16(17)18-21-19(23-22-18)25-13-14-8-10-15(20)11-9-14/h4-11H,2-3,12-13H2,1H3,(H,21,22,23)