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

Systemtic Name: 4-(butylamino)-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one Openeye Name: 4-(butylamino)-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one CAS Name: 4-(butylamino)-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one IUPAC Name: 4-(butylamino)-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one Traditional Name: 4-(butylamino)-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one Formula: C12H11F3N2O3S2 MolecularWeight: 352.35255

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C2=C1SC(=O)S2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C2=C1SC(=O)S2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H11F3N2O3S2/c1-2-3-4-16-8-7(17(19)20)5-6(12(13,14)15)9-10(8)22-11(18)21-9/h5,16H,2-4H2,1H3