5-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-methyl-7-nitro-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: 5-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-methyl-7-nitro-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 5-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)-6-methyl-7-nitro-1,4-dihydroquinoxaline-2,3-dione CAS Name: 5-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-methyl-7-nitro-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 5-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-methyl-7-nitro-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 5-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)-6-methyl-7-nitro-1,4-dihydroquinoxaline-2,3-quinone Formula: C11H9N7O4S MolecularWeight: 335.29866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1C3=NNC(=S)N3N)NC(=O)C(=O)N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C2C(=C1C3=NNC(=S)N3N)NC(=O)C(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C11H9N7O4S/c1-3-5(18(21)22)2-4-7(14-10(20)9(19)13-4)6(3)8-15-16-11(23)17(8)12/h2H,12H2,1H3,(H,13,19)(H,14,20)(H,16,23)