1-[2-(2-fluoranylphenoxy)ethylsulfanyl]-4-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-[2-(2-fluoranylphenoxy)ethylsulfanyl]-4-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-[2-(2-fluorophenoxy)ethylsulfanyl]-4-(p-tolylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-[2-(2-fluorophenoxy)ethylthio]-4-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-[2-(2-fluorophenoxy)ethylsulfanyl]-4-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 1-[2-(2-fluorophenoxy)ethylthio]-4-(4-methylbenzyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C25H21FN4O2S MolecularWeight: 460.523243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N4C2=NN=C4SCCOC5=CC=CC=C5F

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N4C2=NN=C4SCCOC5=CC=CC=C5F

InChI

InChI=1S/C25H21FN4O2S/c1-17-10-12-18(13-11-17)16-29-23(31)19-6-2-4-8-21(19)30-24(29)27-28-25(30)33-15-14-32-22-9-5-3-7-20(22)26/h2-13H,14-16H2,1H3