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

Systemtic Name: N,N-dimethyl-5-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]pent-4-yn-1-amine Openeye Name: N,N-dimethyl-5-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]pent-4-yn-1-amine CAS Name: N,N-dimethyl-5-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]-4-pentyn-1-amine IUPAC Name: N,N-dimethyl-5-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]pent-4-yn-1-amine Traditional Name: dimethyl-[5-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]pent-4-ynyl]amine Formula: C21H19F3N2S MolecularWeight: 388.44917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N2S/c1-26(2)13-5-3-4-6-15-7-12-18-19(14-15)27-25-20(18)16-8-10-17(11-9-16)21(22,23)24/h7-12,14H,3,5,13H2,1-2H3