N,N-diethyl-2-isothiocyanato-1-phenyl-ethanamine

Systemtic Name: N,N-diethyl-2-isothiocyanato-1-phenyl-ethanamine Openeye Name: N,N-diethyl-2-isothiocyanato-1-phenyl-ethanamine CAS Name: N,N-diethyl-2-isothiocyanato-1-phenylethanamine IUPAC Name: N,N-diethyl-2-isothiocyanato-1-phenylethanamine Traditional Name: diethyl-(2-isothiocyanato-1-phenyl-ethyl)amine Formula: C13H18N2S MolecularWeight: 234.36042

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CN=C=S)C1=CC=CC=C1

Isomeric SMILES

CCN(CC)C(CN=C=S)C1=CC=CC=C1

InChI

InChI=1S/C13H18N2S/c1-3-15(4-2)13(10-14-11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10H2,1-2H3