2-[bis(2,4-dinitrophenyl)amino]ethanethiol

Systemtic Name: 2-[bis(2,4-dinitrophenyl)amino]ethanethiol Openeye Name: 2-(N-(2,4-dinitrophenyl)-2,4-dinitro-anilino)ethanethiol CAS Name: 2-(N-(2,4-dinitrophenyl)-2,4-dinitroanilino)ethanethiol IUPAC Name: 2-(N-(2,4-dinitrophenyl)-2,4-dinitroanilino)ethanethiol Traditional Name: 2-(N-(2,4-dinitrophenyl)-2,4-dinitro-anilino)ethanethiol Formula: C14H11N5O8S MolecularWeight: 409.33084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N(CCS)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N(CCS)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O8S/c20-16(21)9-1-3-11(13(7-9)18(24)25)15(5-6-28)12-4-2-10(17(22)23)8-14(12)19(26)27/h1-4,7-8,28H,5-6H2