3-nitro-3-(7-nitroquinoxalin-2-yl)-2-oxidanylidene-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)propanamide

Systemtic Name: 3-nitro-3-(7-nitroquinoxalin-2-yl)-2-oxidanylidene-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)propanamide Openeye Name: 3-nitro-3-(7-nitroquinoxalin-2-yl)-2-oxo-N-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)propanamide CAS Name: 3-nitro-3-(7-nitro-2-quinoxalinyl)-2-oxo-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)propanamide IUPAC Name: 3-nitro-3-(7-nitroquinoxalin-2-yl)-2-oxo-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)propanamide Traditional Name: 2-keto-3-nitro-3-(7-nitroquinoxalin-2-yl)-N-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)propionamide Formula: C13H8N8O6S MolecularWeight: 404.31762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC=C(N=C2C=C1[N+](=O)[O-])C(C(=O)C(=O)NC3=NC(=S)NN3)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=NC=C(N=C2C=C1[N+](=O)[O-])C(C(=O)C(=O)NC3=NC(=S)NN3)[N+](=O)[O-]

InChI

InChI=1S/C13H8N8O6S/c22-10(11(23)16-12-17-13(28)19-18-12)9(21(26)27)8-4-14-6-2-1-5(20(24)25)3-7(6)15-8/h1-4,9H,(H3,16,17,18,19,23,28)