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

Systemtic Name: 2-[(5-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-fluoranyl-1H-quinolin-4-one Openeye Name: 2-[(5-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-fluoro-1H-quinolin-4-one CAS Name: 2-[[(5-butyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-8-fluoro-1H-quinolin-4-one IUPAC Name: 2-[(5-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-fluoro-1H-quinolin-4-one Traditional Name: 2-[[(5-butyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-8-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/c1-3-4-8-15-20-21-17(22(15)2)24-10-11-9-14(23)12-6-5-7-13(18)16(12)19-11/h5-7,9H,3-4,8,10H2,1-2H3,(H,19,23)