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

Systemtic Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-fluoranyl-1H-quinolin-4-one Openeye Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-fluoro-1H-quinolin-4-one CAS Name: 2-[[[5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-8-fluoro-1H-quinolin-4-one IUPAC Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-fluoro-1H-quinolin-4-one Traditional Name: 2-[[[5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-8-fluoro-4-quinolone Formula: C25H27FN4O2S MolecularWeight: 466.570883

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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(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H27FN4O2S/c1-5-30-22(14-32-18-11-9-16(10-12-18)25(2,3)4)28-29-24(30)33-15-17-13-21(31)19-7-6-8-20(26)23(19)27-17/h6-13H,5,14-15H2,1-4H3,(H,27,31)