2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-3-ethyl-quinazolin-4-one

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-3-ethyl-quinazolin-4-one Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-3-ethyl-quinazolin-4-one CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-3-ethyl-4-quinazolinone IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-3-ethylquinazolin-4-one Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-3-ethyl-quinazolin-4-one Formula: C18H15BrN2O3S MolecularWeight: 419.2923

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C18H15BrN2O3S/c1-2-21-17(22)12-5-3-4-6-14(12)20-18(21)25-9-11-7-15-16(8-13(11)19)24-10-23-15/h3-8H,2,9-10H2,1H3