3-[2-(4-fluoranylphenoxy)ethylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(4-fluoranylphenoxy)ethylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-fluorophenoxy)ethylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[2-(4-fluorophenoxy)ethylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(4-fluorophenoxy)ethylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[2-(4-fluorophenoxy)ethylthio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C18H18FN3O2S MolecularWeight: 359.417823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCOC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCOC3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN3O2S/c19-15-6-8-16(9-7-15)24-12-13-25-18-21-20-17(23)22(18)11-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,20,23)