2-(5-nitrofuran-2-yl)-5-[(4-nitrophenyl)methylsulfonyl]-1,3,4-thiadiazole

Systemtic Name: 2-(5-nitrofuran-2-yl)-5-[(4-nitrophenyl)methylsulfonyl]-1,3,4-thiadiazole Openeye Name: 2-(5-nitro-2-furyl)-5-[(4-nitrophenyl)methylsulfonyl]-1,3,4-thiadiazole CAS Name: 2-(5-nitro-2-furanyl)-5-[(4-nitrophenyl)methylsulfonyl]-1,3,4-thiadiazole IUPAC Name: 2-(5-nitrofuran-2-yl)-5-[(4-nitrophenyl)methylsulfonyl]-1,3,4-thiadiazole Traditional Name: 2-(4-nitrobenzyl)sulfonyl-5-(5-nitro-2-furyl)-1,3,4-thiadiazole Formula: C13H8N4O7S2 MolecularWeight: 396.35522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)C2=NN=C(S2)C3=CC=C(O3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)C2=NN=C(S2)C3=CC=C(O3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H8N4O7S2/c18-16(19)9-3-1-8(2-4-9)7-26(22,23)13-15-14-12(25-13)10-5-6-11(24-10)17(20)21/h1-6H,7H2