5-(4-ethylphenyl)-3-[2-(2-fluoranylphenoxy)ethylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(4-ethylphenyl)-3-[2-(2-fluoranylphenoxy)ethylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(4-ethylphenyl)-3-[2-(2-fluorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(4-ethylphenyl)-3-[2-(2-fluorophenoxy)ethylthio]-1H-1,2,4-triazole IUPAC Name: 5-(4-ethylphenyl)-3-[2-(2-fluorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(4-ethylphenyl)-3-[2-(2-fluorophenoxy)ethylthio]-1H-1,2,4-triazole Formula: C18H18FN3OS MolecularWeight: 343.418423

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCCOC3=CC=CC=C3F

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCCOC3=CC=CC=C3F

InChI

InChI=1S/C18H18FN3OS/c1-2-13-7-9-14(10-8-13)17-20-18(22-21-17)24-12-11-23-16-6-4-3-5-15(16)19/h3-10H,2,11-12H2,1H3,(H,20,21,22)