6-methyl-5-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: 6-methyl-5-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 6-methyl-5-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione CAS Name: 6-methyl-5-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 6-methyl-5-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 6-methyl-5-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone Formula: C12H9N5O4S2 MolecularWeight: 351.36096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1C3=NN=C(S3)SC)NC(=O)C(=O)N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C2C(=C1C3=NN=C(S3)SC)NC(=O)C(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O4S2/c1-4-6(17(20)21)3-5-8(14-10(19)9(18)13-5)7(4)11-15-16-12(22-2)23-11/h3H,1-2H3,(H,13,18)(H,14,19)