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

Systemtic Name: 2-[[4-ethyl-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6-fluoranyl-1H-quinolin-4-one Openeye Name: 2-[[4-ethyl-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6-fluoro-1H-quinolin-4-one CAS Name: 2-[[[4-ethyl-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-6-fluoro-1H-quinolin-4-one IUPAC Name: 2-[[4-ethyl-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6-fluoro-1H-quinolin-4-one Traditional Name: 2-[[[4-ethyl-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-6-fluoro-4-quinolone Formula: C22H21FN4O3S MolecularWeight: 440.490543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN4O3S/c1-3-27-21(12-30-17-7-5-16(29-2)6-8-17)25-26-22(27)31-13-15-11-20(28)18-10-14(23)4-9-19(18)24-15/h4-11H,3,12-13H2,1-2H3,(H,24,28)