1-[3-[(3-ethyl-4-methoxy-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]-5-fluoranyl-phenyl]-2-methylsulfonyl-pentane-1,3-dione

Systemtic Name: 1-[3-[(3-ethyl-4-methoxy-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]-5-fluoranyl-phenyl]-2-methylsulfonyl-pentane-1,3-dione Openeye Name: 1-[3-[(3-ethyl-4-methoxy-5-oxo-1,2,4-triazol-1-yl)methyl]-5-fluoro-phenyl]-2-methylsulfonyl-pentane-1,3-dione CAS Name: 1-[3-[(3-ethyl-4-methoxy-5-oxo-1,2,4-triazol-1-yl)methyl]-5-fluorophenyl]-2-methylsulfonylpentane-1,3-dione IUPAC Name: 1-[3-[(3-ethyl-4-methoxy-5-oxo-1,2,4-triazol-1-yl)methyl]-5-fluorophenyl]-2-methylsulfonylpentane-1,3-dione Traditional Name: 1-[3-[(3-ethyl-5-keto-4-methoxy-1,2,4-triazol-1-yl)methyl]-5-fluoro-phenyl]-2-mesyl-pentane-1,3-dione Formula: C18H22FN3O6S MolecularWeight: 427.447183

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)N1OC)CC2=CC(=CC(=C2)C(=O)C(C(=O)CC)S(=O)(=O)C)F

Isomeric SMILES

CCC1=NN(C(=O)N1OC)CC2=CC(=CC(=C2)C(=O)C(C(=O)CC)S(=O)(=O)C)F

InChI

InChI=1S/C18H22FN3O6S/c1-5-14(23)17(29(4,26)27)16(24)12-7-11(8-13(19)9-12)10-21-18(25)22(28-3)15(6-2)20-21/h7-9,17H,5-6,10H2,1-4H3