1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 1-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C22H21FN4O2S MolecularWeight: 424.491143

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCCCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCCCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN4O2S/c1-2-13-26-20(29)17-6-3-4-7-18(17)27-21(26)24-25-22(27)30-14-5-8-19(28)15-9-11-16(23)12-10-15/h3-4,6-7,9-12H,2,5,8,13-14H2,1H3