N,N-diethyl-4-isothiocyanato-but-2-yn-1-amine

Systemtic Name: N,N-diethyl-4-isothiocyanato-but-2-yn-1-amine Openeye Name: N,N-diethyl-4-isothiocyanato-but-2-yn-1-amine CAS Name: N,N-diethyl-4-isothiocyanato-2-butyn-1-amine IUPAC Name: N,N-diethyl-4-isothiocyanatobut-2-yn-1-amine Traditional Name: diethyl(4-isothiocyanatobut-2-ynyl)amine Formula: C9H14N2S MolecularWeight: 182.28586

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCN=C=S

Isomeric SMILES

CCN(CC)CC#CCN=C=S

InChI

InChI=1S/C9H14N2S/c1-3-11(4-2)8-6-5-7-10-9-12/h3-4,7-8H2,1-2H3