2-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazoline

Systemtic Name: 2-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazoline Openeye Name: 2-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazoline CAS Name: 2-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]quinazoline IUPAC Name: 2-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazoline Traditional Name: 2-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]quinazoline Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C18H15N3O4S/c1-11-19-16-5-3-2-4-15(16)18(20-11)26-9-13-7-14(21(22)23)6-12-8-24-10-25-17(12)13/h2-7H,8-10H2,1H3