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

Systemtic Name: 2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-8-fluoranyl-1H-quinolin-4-one Openeye Name: 2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-8-fluoro-1H-quinolin-4-one CAS Name: 2-[[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-8-fluoro-1H-quinolin-4-one IUPAC Name: 2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-8-fluoro-1H-quinolin-4-one Traditional Name: 2-[[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-8-fluoro-4-quinolone Formula: C22H21FN4O2S MolecularWeight: 424.491143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)C3=C(N2)C(=CC=C3)F)COC4=CC=C(C=C4)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)C3=C(N2)C(=CC=C3)F)COC4=CC=C(C=C4)C

InChI

InChI=1S/C22H21FN4O2S/c1-3-27-20(12-29-16-9-7-14(2)8-10-16)25-26-22(27)30-13-15-11-19(28)17-5-4-6-18(23)21(17)24-15/h4-11H,3,12-13H2,1-2H3,(H,24,28)