5-nitro-4-pyrrolidin-1-yl-7-(trifluoromethyl)-1,3-benzodithiol-2-one

Systemtic Name: 5-nitro-4-pyrrolidin-1-yl-7-(trifluoromethyl)-1,3-benzodithiol-2-one Openeye Name: 5-nitro-4-pyrrolidin-1-yl-7-(trifluoromethyl)-1,3-benzodithiol-2-one CAS Name: 5-nitro-4-(1-pyrrolidinyl)-7-(trifluoromethyl)-1,3-benzodithiol-2-one IUPAC Name: 5-nitro-4-pyrrolidin-1-yl-7-(trifluoromethyl)-1,3-benzodithiol-2-one Traditional Name: 5-nitro-4-pyrrolidino-7-(trifluoromethyl)-1,3-benzodithiol-2-one Formula: C12H9F3N2O3S2 MolecularWeight: 350.33667

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C3=C2SC(=O)S3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C3=C2SC(=O)S3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H9F3N2O3S2/c13-12(14,15)6-5-7(17(19)20)8(16-3-1-2-4-16)10-9(6)21-11(18)22-10/h5H,1-4H2