4-(1-azanylpropyl)-5-nitro-1-oxidanylidene-7-(trifluoromethyl)-1$l^{4},3-benzodithiole-2-thione

Systemtic Name: 4-(1-azanylpropyl)-5-nitro-1-oxidanylidene-7-(trifluoromethyl)-1$l^{4},3-benzodithiole-2-thione Openeye Name: 4-(1-aminopropyl)-5-nitro-1-oxo-7-(trifluoromethyl)-1$l^{4},3-benzodithiole-2-thione CAS Name: 4-(1-aminopropyl)-5-nitro-1-oxo-7-(trifluoromethyl)-1$l^{4},3-benzodithiole-2-thione IUPAC Name: 4-(1-aminopropyl)-5-nitro-1-oxo-7-(trifluoromethyl)-1$l^{4},3-benzodithiole-2-thione Traditional Name: 4-(1-aminopropyl)-1-keto-5-nitro-7-(trifluoromethyl)-1$l^{4},3-benzodithiole-2-thione Formula: C11H9F3N2O3S3 MolecularWeight: 370.39097

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=C(C2=C1SC(=S)S2=O)C(F)(F)F)[N+](=O)[O-])N

Isomeric SMILES

CCC(C1=C(C=C(C2=C1SC(=S)S2=O)C(F)(F)F)[N+](=O)[O-])N

InChI

InChI=1S/C11H9F3N2O3S3/c1-2-5(15)7-6(16(17)18)3-4(11(12,13)14)9-8(7)21-10(20)22(9)19/h3,5H,2,15H2,1H3