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

Systemtic Name: 6-methyl-7-nitro-5-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 6-methyl-7-nitro-5-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)-1,4-dihydroquinoxaline-2,3-dione CAS Name: 6-methyl-7-nitro-5-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 6-methyl-7-nitro-5-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 6-methyl-7-nitro-5-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)-1,4-dihydroquinoxaline-2,3-quinone Formula: C11H8N6O4S MolecularWeight: 320.28402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1C3=NC(=S)NN3)NC(=O)C(=O)N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C2C(=C1C3=NC(=S)NN3)NC(=O)C(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C11H8N6O4S/c1-3-5(17(20)21)2-4-7(13-10(19)9(18)12-4)6(3)8-14-11(22)16-15-8/h2H,1H3,(H,12,18)(H,13,19)(H2,14,15,16,22)