2-butyl-7-(trifluoromethyl)-1,2-benzothiazol-3-one

Systemtic Name: 2-butyl-7-(trifluoromethyl)-1,2-benzothiazol-3-one Openeye Name: 2-butyl-7-(trifluoromethyl)-1,2-benzothiazol-3-one CAS Name: 2-butyl-7-(trifluoromethyl)-1,2-benzothiazol-3-one IUPAC Name: 2-butyl-7-(trifluoromethyl)-1,2-benzothiazol-3-one Traditional Name: 2-butyl-7-(trifluoromethyl)-1,2-benzothiazol-3-one Formula: C12H12F3NOS MolecularWeight: 275.28999

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(S1)C(=CC=C2)C(F)(F)F

Isomeric SMILES

CCCCN1C(=O)C2=C(S1)C(=CC=C2)C(F)(F)F

InChI

InChI=1S/C12H12F3NOS/c1-2-3-7-16-11(17)8-5-4-6-9(10(8)18-16)12(13,14)15/h4-6H,2-3,7H2,1H3