2-[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6-fluoranyl-1H-quinolin-4-one

Systemtic Name: 2-[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6-fluoranyl-1H-quinolin-4-one Openeye Name: 2-[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6-fluoro-1H-quinolin-4-one CAS Name: 2-[[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-6-fluoro-1H-quinolin-4-one IUPAC Name: 2-[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6-fluoro-1H-quinolin-4-one Traditional Name: 2-[[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-6-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/c1-3-15-5-8-18(9-6-15)30-13-22-26-27-23(28(22)4-2)31-14-17-12-21(29)19-11-16(24)7-10-20(19)25-17/h5-12H,3-4,13-14H2,1-2H3,(H,25,29)