3-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]butan-1-amine

Systemtic Name: 3-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]butan-1-amine Openeye Name: 3-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]butan-1-amine CAS Name: 3-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1-butanamine IUPAC Name: 3-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]butan-1-amine Traditional Name: [3-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]butyl]amine Formula: C13H15F3N2S MolecularWeight: 288.33181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NC2=C(S1)C=CC(=C2)C(F)(F)F)N

Isomeric SMILES

CC(C)CC(C1=NC2=C(S1)C=CC(=C2)C(F)(F)F)N

InChI

InChI=1S/C13H15F3N2S/c1-7(2)5-9(17)12-18-10-6-8(13(14,15)16)3-4-11(10)19-12/h3-4,6-7,9H,5,17H2,1-2H3