5-azanylpentanenitrile; 2-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene

Systemtic Name: 5-azanylpentanenitrile; 2-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene Openeye Name: 5-aminopentanenitrile; 2-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene CAS Name: 5-aminopentanenitrile; 2-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene IUPAC Name: 5-aminopentanenitrile; 2-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene Traditional Name: 5-aminovaleronitrile; 2-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene Formula: C13H18N2OS MolecularWeight: 250.35982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CSC(=C1)C=C2.C(CCN)CC#N

Isomeric SMILES

COC1=C2CSC(=C1)C=C2.C(CCN)CC#N

InChI

InChI=1S/C8H8OS.C5H10N2/c1-9-8-4-7-3-2-6(8)5-10-7;6-4-2-1-3-5-7/h2-4H,5H2,1H3;1-4,6H2