2-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one

Systemtic Name: 2-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one Openeye Name: 2-[2-(4-cyclohexylphenyl)-2-oxo-ethyl]sulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one CAS Name: 2-[[2-(4-cyclohexylphenyl)-2-oxoethyl]thio]-3-[(4-fluorophenyl)methyl]-4-quinazolinone IUPAC Name: 2-[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one Traditional Name: 2-[[2-(4-cyclohexylphenyl)-2-keto-ethyl]thio]-3-(4-fluorobenzyl)quinazolin-4-one Formula: C29H27FN2O2S MolecularWeight: 486.600283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F

InChI

InChI=1S/C29H27FN2O2S/c30-24-16-10-20(11-17-24)18-32-28(34)25-8-4-5-9-26(25)31-29(32)35-19-27(33)23-14-12-22(13-15-23)21-6-2-1-3-7-21/h4-5,8-17,21H,1-3,6-7,18-19H2