2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanenitrile

Systemtic Name: 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanenitrile Openeye Name: 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile CAS Name: 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile IUPAC Name: 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile Traditional Name: 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile Formula: C10H5F3N2S MolecularWeight: 242.22031

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)N=C(S2)CC#N

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)N=C(S2)CC#N

InChI

InChI=1S/C10H5F3N2S/c11-10(12,13)6-1-2-8-7(5-6)15-9(16-8)3-4-14/h1-2,5H,3H2