2-(4-chloranyl-2-fluoranyl-5-nitro-phenyl)-7,7-bis(oxidanylidene)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,2-d][1,4,5]thiadiazepine-1,3-dione

Systemtic Name: 2-(4-chloranyl-2-fluoranyl-5-nitro-phenyl)-7,7-bis(oxidanylidene)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,2-d][1,4,5]thiadiazepine-1,3-dione Openeye Name: 2-(4-chloro-2-fluoro-5-nitro-phenyl)-7,7-dioxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,2-d][1,4,5]thiadiazepine-1,3-dione CAS Name: 2-(4-chloro-2-fluoro-5-nitrophenyl)-7,7-dioxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,2-d][1,4,5]thiadiazepine-1,3-dione IUPAC Name: 2-(4-chloro-2-fluoro-5-nitrophenyl)-7,7-dioxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,2-d][1,4,5]thiadiazepine-1,3-dione Traditional Name: 2-(4-chloro-2-fluoro-5-nitro-phenyl)-7,7-diketo-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,2-d][1,4,5]thiadiazepine-1,3-quinone Formula: C12H10ClFN4O6S MolecularWeight: 392.747403

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCN2N1C(=O)N(C2=O)C3=CC(=C(C=C3F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)CCN2N1C(=O)N(C2=O)C3=CC(=C(C=C3F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H10ClFN4O6S/c13-7-5-8(14)10(6-9(7)18(21)22)17-11(19)15-1-3-25(23,24)4-2-16(15)12(17)20/h5-6H,1-4H2