N,N-dimethyl-4-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]but-3-yn-1-amine

Systemtic Name: N,N-dimethyl-4-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]but-3-yn-1-amine Openeye Name: N,N-dimethyl-4-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]but-3-yn-1-amine CAS Name: N,N-dimethyl-4-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]-3-butyn-1-amine IUPAC Name: N,N-dimethyl-4-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]but-3-yn-1-amine Traditional Name: dimethyl-[4-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]but-3-ynyl]amine Formula: C20H17F3N2S MolecularWeight: 374.42259

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC#CC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CN(C)CCC#CC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H17F3N2S/c1-25(2)12-4-3-5-14-6-11-17-18(13-14)26-24-19(17)15-7-9-16(10-8-15)20(21,22)23/h6-11,13H,4,12H2,1-2H3