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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1C)SCC2=CC(=O)C3=C(N2)C=CC(=C3)F

Isomeric SMILES

CCCCC1=NN=C(N1C)SCC2=CC(=O)C3=C(N2)C=CC(=C3)F

InChI

InChI=1S/C17H19FN4OS/c1-3-4-5-16-20-21-17(22(16)2)24-10-12-9-15(23)13-8-11(18)6-7-14(13)19-12/h6-9H,3-5,10H2,1-2H3,(H,19,23)