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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN2O2S/c26-20-14-12-19(13-15-20)23(29)11-6-16-31-25-27-22-10-5-4-9-21(22)24(30)28(25)17-18-7-2-1-3-8-18/h1-5,7-10,12-15H,6,11,16-17H2