5-[[(4-fluorophenyl)amino]methyl]-2-prop-2-enyl-1H-1,2,4-triazol-3-one

Systemtic Name: 5-[[(4-fluorophenyl)amino]methyl]-2-prop-2-enyl-1H-1,2,4-triazol-3-one Openeye Name: 2-allyl-5-[(4-fluoroanilino)methyl]-1H-1,2,4-triazol-3-one CAS Name: 5-[(4-fluoroanilino)methyl]-2-prop-2-enyl-1H-1,2,4-triazol-3-one IUPAC Name: 5-[(4-fluoroanilino)methyl]-2-prop-2-enyl-1H-1,2,4-triazol-3-one Traditional Name: 2-allyl-5-[(4-fluoroanilino)methyl]-1H-1,2,4-triazol-3-one Formula: C12H13FN4O MolecularWeight: 248.256223

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)N=C(N1)CNC2=CC=C(C=C2)F

Isomeric SMILES

C=CCN1C(=O)N=C(N1)CNC2=CC=C(C=C2)F

InChI

InChI=1S/C12H13FN4O/c1-2-7-17-12(18)15-11(16-17)8-14-10-5-3-9(13)4-6-10/h2-6,14H,1,7-8H2,(H,15,16,18)