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

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

Systemtic Name:4,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyridine-3-carbonitrile
Openeye Name:4,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyridine-3-carbonitrile
CAS Name:4,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-3-pyridinecarbonitrile
IUPAC Name:4,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyridine-3-carbonitrile
Traditional Name:4,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]nicotinonitrile
Formula: C17H15N3O4S
MolecularWeight: 357.3837
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C


Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C


InChI

InChI=1S/C17H15N3O4S/c1-10-3-11(2)19-17(15(10)6-18)25-8-13-5-14(20(21)22)4-12-7-23-9-24-16(12)13/h3-5H,7-9H2,1-2H3


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