5,5-dimethyl-7-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]hept-1-en-6-yn-4-amine

Systemtic Name: 5,5-dimethyl-7-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]hept-1-en-6-yn-4-amine Openeye Name: 5,5-dimethyl-7-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]hept-1-en-6-yn-4-amine CAS Name: 5,5-dimethyl-7-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]-4-hept-1-en-6-ynamine IUPAC Name: 5,5-dimethyl-7-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]hept-1-en-6-yn-4-amine Traditional Name: 1-[1,1-dimethyl-3-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]prop-2-ynyl]but-3-enylamine Formula: C23H21F3N2S MolecularWeight: 414.48645

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21F3N2S/c1-4-5-20(27)22(2,3)13-12-15-6-11-18-19(14-15)29-28-21(18)16-7-9-17(10-8-16)23(24,25)26/h4,6-11,14,20H,1,5,27H2,2-3H3