3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(3-fluoro-4-methoxy-benzyl)thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C18H18FN3O2S MolecularWeight: 359.417823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NNC(=O)N2CCC3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NNC(=O)N2CCC3=CC=CC=C3)F

InChI

InChI=1S/C18H18FN3O2S/c1-24-16-8-7-14(11-15(16)19)12-25-18-21-20-17(23)22(18)10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,20,23)