azido-(3-carbonazidoyl-5-isothiocyanato-phenyl)methanone

Systemtic Name: azido-(3-carbonazidoyl-5-isothiocyanato-phenyl)methanone Openeye Name: 5-isothiocyanatobenzene-1,3-dicarbonyl azide CAS Name: azido-(3-carbonazidoyl-5-isothiocyanatophenyl)methanone IUPAC Name: 5-isothiocyanatobenzene-1,3-dicarbonyl azide Traditional Name: azido-(3-carbonazidoyl-5-isothiocyanato-phenyl)methanone Formula: C9H3N7O2S MolecularWeight: 273.23082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)N=[N+]=[N-])N=C=S)C(=O)N=[N+]=[N-]

Isomeric SMILES

C1=C(C=C(C=C1C(=O)N=[N+]=[N-])N=C=S)C(=O)N=[N+]=[N-]

InChI

InChI=1S/C9H3N7O2S/c10-15-13-8(17)5-1-6(9(18)14-16-11)3-7(2-5)12-4-19/h1-3H