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

Systemtic Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-fluoranyl-1H-quinolin-4-one Openeye Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-fluoro-1H-quinolin-4-one CAS Name: 2-[[[5-[(4-tert-butylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-6-fluoro-1H-quinolin-4-one IUPAC Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-fluoro-1H-quinolin-4-one Traditional Name: 2-[[[5-[(4-tert-butylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-6-fluoro-4-quinolone Formula: C24H25FN4O2S MolecularWeight: 452.544303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2C)SCC3=CC(=O)C4=C(N3)C=CC(=C4)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2C)SCC3=CC(=O)C4=C(N3)C=CC(=C4)F

InChI

InChI=1S/C24H25FN4O2S/c1-24(2,3)15-5-8-18(9-6-15)31-13-22-27-28-23(29(22)4)32-14-17-12-21(30)19-11-16(25)7-10-20(19)26-17/h5-12H,13-14H2,1-4H3,(H,26,30)