N,N-diethyl-5-[2-methyl-3-[4-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]pent-4-yn-1-amine

Systemtic Name: N,N-diethyl-5-[2-methyl-3-[4-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]pent-4-yn-1-amine Openeye Name: N,N-diethyl-5-[2-methyl-3-[4-(trifluoromethyl)phenyl]benzothiophen-6-yl]pent-4-yn-1-amine CAS Name: N,N-diethyl-5-[2-methyl-3-[4-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]-4-pentyn-1-amine IUPAC Name: N,N-diethyl-5-[2-methyl-3-[4-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]pent-4-yn-1-amine Traditional Name: diethyl-[5-[2-methyl-3-[4-(trifluoromethyl)phenyl]benzothiophen-6-yl]pent-4-ynyl]amine Formula: C25H26F3NS MolecularWeight: 429.54085

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC#CC1=CC2=C(C=C1)C(=C(S2)C)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCN(CC)CCCC#CC1=CC2=C(C=C1)C(=C(S2)C)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C25H26F3NS/c1-4-29(5-2)16-8-6-7-9-19-10-15-22-23(17-19)30-18(3)24(22)20-11-13-21(14-12-20)25(26,27)28/h10-15,17H,4-6,8,16H2,1-3H3