6-isoquinolin-5-ylsulfanyl-7-nitro-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: 6-isoquinolin-5-ylsulfanyl-7-nitro-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 6-(5-isoquinolylsulfanyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione CAS Name: 6-(5-isoquinolinylthio)-7-nitro-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 6-isoquinolin-5-ylsulfanyl-7-nitro-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 6-(5-isoquinolylthio)-7-nitro-1,4-dihydroquinoxaline-2,3-quinone Formula: C17H10N4O4S MolecularWeight: 366.3507

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)SC3=C(C=C4C(=C3)NC(=O)C(=O)N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)SC3=C(C=C4C(=C3)NC(=O)C(=O)N4)[N+](=O)[O-]

InChI

InChI=1S/C17H10N4O4S/c22-16-17(23)20-12-7-15(13(21(24)25)6-11(12)19-16)26-14-3-1-2-9-8-18-5-4-10(9)14/h1-8H,(H,19,22)(H,20,23)