2-[2-(2-aminocarbonyl-3,5-dinitro-phenyl)sulfanylethylsulfanyl]-4,6-dinitro-benzamide

Systemtic Name: 2-[2-(2-aminocarbonyl-3,5-dinitro-phenyl)sulfanylethylsulfanyl]-4,6-dinitro-benzamide Openeye Name: 2-[2-(2-carbamoyl-3,5-dinitro-phenyl)sulfanylethylsulfanyl]-4,6-dinitro-benzamide CAS Name: 2-[2-[(2-carbamoyl-3,5-dinitrophenyl)thio]ethylthio]-4,6-dinitrobenzamide IUPAC Name: 2-[2-(2-carbamoyl-3,5-dinitrophenyl)sulfanylethylsulfanyl]-4,6-dinitrobenzamide Traditional Name: 2-[2-[(2-carbamoyl-3,5-dinitro-phenyl)thio]ethylthio]-4,6-dinitro-benzamide Formula: C16H12N6O10S2 MolecularWeight: 512.43068

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)N)SCCSC2=CC(=CC(=C2C(=O)N)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)N)SCCSC2=CC(=CC(=C2C(=O)N)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O10S2/c17-15(23)13-9(21(29)30)3-7(19(25)26)5-11(13)33-1-2-34-12-6-8(20(27)28)4-10(22(31)32)14(12)16(18)24/h3-6H,1-2H2,(H2,17,23)(H2,18,24)