N,N-diethyl-2-isothiocyanato-ethanamine; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene

Systemtic Name: N,N-diethyl-2-isothiocyanato-ethanamine; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene Openeye Name: N,N-diethyl-2-isothiocyanato-ethanamine; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene CAS Name: N,N-diethyl-2-isothiocyanatoethanamine; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene IUPAC Name: N,N-diethyl-2-isothiocyanatoethanamine; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene Traditional Name: diethyl(2-isothiocyanatoethyl)amine; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene Formula: C13H18N2OS MolecularWeight: 250.35982

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN=C=S.C1=CC2=CC=C1O2

Isomeric SMILES

CCN(CC)CCN=C=S.C1=CC2=CC=C1O2

InChI

InChI=1S/C7H14N2S.C6H4O/c1-3-9(4-2)6-5-8-7-10;1-2-6-4-3-5(1)7-6/h3-6H2,1-2H3;1-4H