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

Systemtic Name: 3-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2,3-dimethylphenyl)-2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-4-quinazolinone IUPAC Name: 3-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanylquinazolin-4-one Traditional Name: 3-(2,3-dimethylphenyl)-2-[[4-(4-fluorophenyl)-4-keto-butyl]thio]quinazolin-4-one Formula: C26H23FN2O2S MolecularWeight: 446.536423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC(=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C26H23FN2O2S/c1-17-7-5-10-23(18(17)2)29-25(31)21-8-3-4-9-22(21)28-26(29)32-16-6-11-24(30)19-12-14-20(27)15-13-19/h3-5,7-10,12-15H,6,11,16H2,1-2H3