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

Systemtic Name: 6-fluoranyl-2-[[4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Openeye Name: 6-fluoro-2-[(5-isobutyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one CAS Name: 6-fluoro-2-[[[4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinolin-4-one IUPAC Name: 6-fluoro-2-[[4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Traditional Name: 6-fluoro-2-[[(5-isobutyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-quinolone Formula: C17H19FN4OS MolecularWeight: 346.422363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(N1C)SCC2=CC(=O)C3=C(N2)C=CC(=C3)F

Isomeric SMILES

CC(C)CC1=NN=C(N1C)SCC2=CC(=O)C3=C(N2)C=CC(=C3)F

InChI

InChI=1S/C17H19FN4OS/c1-10(2)6-16-20-21-17(22(16)3)24-9-12-8-15(23)13-7-11(18)4-5-14(13)19-12/h4-5,7-8,10H,6,9H2,1-3H3,(H,19,23)