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

Systemtic Name: 2-[[4-ethyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-8-fluoranyl-1H-quinolin-4-one Openeye Name: 2-[[4-ethyl-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-8-fluoro-1H-quinolin-4-one CAS Name: 2-[[[4-ethyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-8-fluoro-1H-quinolin-4-one IUPAC Name: 2-[[4-ethyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-8-fluoro-1H-quinolin-4-one Traditional Name: 2-[[[4-ethyl-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-8-fluoro-4-quinolone Formula: C24H25FN4O2S MolecularWeight: 452.544303

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)C(C)C

Isomeric SMILES

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

InChI

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