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

Systemtic Name: 5-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 3-[(4-fluorobenzyl)thio]-5-o-phenetyl-1H-1,2,4-triazole Formula: C17H16FN3OS MolecularWeight: 329.391843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC(=NN2)SCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC(=NN2)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H16FN3OS/c1-2-22-15-6-4-3-5-14(15)16-19-17(21-20-16)23-11-12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3,(H,19,20,21)