2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-3-(2-methylphenyl)quinazolin-4-one

Systemtic Name: 2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-3-(o-tolyl)quinazolin-4-one CAS Name: 2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-3-(o-tolyl)quinazolin-4-one Formula: C25H21FN2O2S MolecularWeight: 432.509843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCCCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCCCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN2O2S/c1-17-7-2-5-10-22(17)28-24(30)20-8-3-4-9-21(20)27-25(28)31-16-6-11-23(29)18-12-14-19(26)15-13-18/h2-5,7-10,12-15H,6,11,16H2,1H3