2-[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-8-fluoranyl-1H-quinolin-4-one

Systemtic Name: 2-[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-8-fluoranyl-1H-quinolin-4-one Openeye Name: 2-[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-8-fluoro-1H-quinolin-4-one CAS Name: 2-[[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-8-fluoro-1H-quinolin-4-one IUPAC Name: 2-[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-8-fluoro-1H-quinolin-4-one Traditional Name: 2-[[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-8-fluoro-4-quinolone Formula: C23H23FN4O2S MolecularWeight: 438.517723

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC)SCC3=CC(=O)C4=C(N3)C(=CC=C4)F

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC)SCC3=CC(=O)C4=C(N3)C(=CC=C4)F

InChI

InChI=1S/C23H23FN4O2S/c1-3-15-8-10-17(11-9-15)30-13-21-26-27-23(28(21)4-2)31-14-16-12-20(29)18-6-5-7-19(24)22(18)25-16/h5-12H,3-4,13-14H2,1-2H3,(H,25,29)