3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloro-6-fluorophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-piperonyl-quinazolin-4-one Formula: C23H16ClFN2O3S MolecularWeight: 454.901143

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC5=C(C=CC=C5Cl)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C23H16ClFN2O3S/c24-17-5-3-6-18(25)16(17)12-31-23-26-19-7-2-1-4-15(19)22(28)27(23)11-14-8-9-20-21(10-14)30-13-29-20/h1-10H,11-13H2