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

Systemtic Name: N,N-diethyl-5-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]pent-4-yn-1-amine Openeye Name: N,N-diethyl-5-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]pent-4-yn-1-amine CAS Name: N,N-diethyl-5-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]-4-pentyn-1-amine IUPAC Name: N,N-diethyl-5-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]pent-4-yn-1-amine Traditional Name: diethyl-[5-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]pent-4-ynyl]amine Formula: C23H23F3N2S MolecularWeight: 416.50233

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC#CC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCN(CC)CCCC#CC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C23H23F3N2S/c1-3-28(4-2)15-7-5-6-8-17-9-14-20-21(16-17)29-27-22(20)18-10-12-19(13-11-18)23(24,25)26/h9-14,16H,3-5,7,15H2,1-2H3