N,N-diethyl-4-(2-phenyl-1,3-dithian-2-yl)but-2-yn-1-amine

Systemtic Name: N,N-diethyl-4-(2-phenyl-1,3-dithian-2-yl)but-2-yn-1-amine Openeye Name: N,N-diethyl-4-(2-phenyl-1,3-dithian-2-yl)but-2-yn-1-amine CAS Name: N,N-diethyl-4-(2-phenyl-1,3-dithian-2-yl)-2-butyn-1-amine IUPAC Name: N,N-diethyl-4-(2-phenyl-1,3-dithian-2-yl)but-2-yn-1-amine Traditional Name: diethyl-[4-(2-phenyl-1,3-dithian-2-yl)but-2-ynyl]amine Formula: C18H25NS2 MolecularWeight: 319.5278

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCC1(SCCCS1)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)CC#CCC1(SCCCS1)C2=CC=CC=C2

InChI

InChI=1S/C18H25NS2/c1-3-19(4-2)14-9-8-13-18(20-15-10-16-21-18)17-11-6-5-7-12-17/h5-7,11-12H,3-4,10,13-16H2,1-2H3