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

Systemtic Name: 4,8-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinoline Openeye Name: 4,8-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinoline CAS Name: 4,8-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]quinoline IUPAC Name: 4,8-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinoline Traditional Name: 4,8-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]quinoline Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C20H18N2O4S/c1-12-4-3-5-17-13(2)6-18(21-19(12)17)27-10-15-8-16(22(23)24)7-14-9-25-11-26-20(14)15/h3-8H,9-11H2,1-2H3