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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-3-propyl-quinazolin-4-one Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-3-propyl-quinazolin-4-one CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-3-propyl-4-quinazolinone IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-3-propylquinazolin-4-one Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-3-propyl-quinazolin-4-one Formula: C19H17BrN2O3S MolecularWeight: 433.31888

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C19H17BrN2O3S/c1-2-7-22-18(23)13-5-3-4-6-15(13)21-19(22)26-10-12-8-16-17(9-14(12)20)25-11-24-16/h3-6,8-9H,2,7,10-11H2,1H3