3-(4-butan-2-ylphenyl)-7-chloranyl-2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-butan-2-ylphenyl)-7-chloranyl-2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 7-chloro-2-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 7-chloro-2-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C26H22ClFN2O2S MolecularWeight: 480.981483

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H22ClFN2O2S/c1-3-16(2)17-6-11-21(12-7-17)30-25(32)22-13-8-19(27)14-23(22)29-26(30)33-15-24(31)18-4-9-20(28)10-5-18/h4-14,16H,3,15H2,1-2H3