7-chloranyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-7-chloro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 7-chloro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-7-chloro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]quinazolin-4-one Formula: C20H16ClN3O5S MolecularWeight: 445.87614

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C20H16ClN3O5S/c1-2-5-23-19(25)16-4-3-14(21)8-17(16)22-20(23)30-10-13-7-15(24(26)27)6-12-9-28-11-29-18(12)13/h2-4,6-8H,1,5,9-11H2