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

Systemtic Name: N,N-diethyl-3-[2-methyl-3-[4-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]prop-2-yn-1-amine Openeye Name: N,N-diethyl-3-[2-methyl-3-[4-(trifluoromethyl)phenyl]benzothiophen-6-yl]prop-2-yn-1-amine CAS Name: N,N-diethyl-3-[2-methyl-3-[4-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]-2-propyn-1-amine IUPAC Name: N,N-diethyl-3-[2-methyl-3-[4-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]prop-2-yn-1-amine Traditional Name: diethyl-[3-[2-methyl-3-[4-(trifluoromethyl)phenyl]benzothiophen-6-yl]prop-2-ynyl]amine Formula: C23H22F3NS MolecularWeight: 401.48769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22F3NS/c1-4-27(5-2)14-6-7-17-8-13-20-21(15-17)28-16(3)22(20)18-9-11-19(12-10-18)23(24,25)26/h8-13,15H,4-5,14H2,1-3H3