2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-3-(3-pyridylmethyl)quinazolin-4-one CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-3-(3-pyridinylmethyl)-4-quinazolinone IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-3-(3-pyridylmethyl)quinazolin-4-one Formula: C24H20ClN3O3S MolecularWeight: 465.9519

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CN=CC=C5)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CN=CC=C5)Cl)OC1

InChI

InChI=1S/C24H20ClN3O3S/c25-19-11-17(12-21-22(19)31-10-4-9-30-21)15-32-24-27-20-7-2-1-6-18(20)23(29)28(24)14-16-5-3-8-26-13-16/h1-3,5-8,11-13H,4,9-10,14-15H2