4,5,6-trimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 4,5,6-trimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]nicotinonitrile Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-10-11(2)16(6-19)18(20-12(10)3)26-8-14-5-15(21(22)23)4-13-7-24-9-25-17(13)14/h4-5H,7-9H2,1-3H3