2-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 5-(methylamino)pentanenitrile

Systemtic Name: 2-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 5-(methylamino)pentanenitrile Openeye Name: 2-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 5-(methylamino)pentanenitrile CAS Name: 2-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 5-(methylamino)pentanenitrile IUPAC Name: 2-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 5-(methylamino)pentanenitrile Traditional Name: 2-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 5-(methylamino)valeronitrile Formula: C14H20N2OS MolecularWeight: 264.3864

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCCC#N.COC1=C2CSC(=C1)C=C2

Isomeric SMILES

CNCCCCC#N.COC1=C2CSC(=C1)C=C2

InChI

InChI=1S/C8H8OS.C6H12N2/c1-9-8-4-7-3-2-6(8)5-10-7;1-8-6-4-2-3-5-7/h2-4H,5H2,1H3;8H,2-4,6H2,1H3