2-(5,7-dinitroquinolin-8-yl)sulfanylethanethiol

Systemtic Name: 2-(5,7-dinitroquinolin-8-yl)sulfanylethanethiol Openeye Name: 2-[(5,7-dinitro-8-quinolyl)sulfanyl]ethanethiol CAS Name: 2-[(5,7-dinitro-8-quinolinyl)thio]ethanethiol IUPAC Name: 2-(5,7-dinitroquinolin-8-yl)sulfanylethanethiol Traditional Name: 2-[(5,7-dinitro-8-quinolyl)thio]ethanethiol Formula: C11H9N3O4S2 MolecularWeight: 311.33686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])SCCS)N=C1

Isomeric SMILES

C1=CC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])SCCS)N=C1

InChI

InChI=1S/C11H9N3O4S2/c15-13(16)8-6-9(14(17)18)11(20-5-4-19)10-7(8)2-1-3-12-10/h1-3,6,19H,4-5H2