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

Systemtic Name: 2-(5-nitrofuran-2-yl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole Openeye Name: 2-(5-nitro-2-furyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole CAS Name: 2-(5-nitro-2-furanyl)-5-[(3-nitrophenyl)methylthio]-1,3,4-thiadiazole IUPAC Name: 2-(5-nitrofuran-2-yl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole Traditional Name: 2-[(3-nitrobenzyl)thio]-5-(5-nitro-2-furyl)-1,3,4-thiadiazole Formula: C13H8N4O5S2 MolecularWeight: 364.35642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NN=C(S2)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NN=C(S2)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C13H8N4O5S2/c18-16(19)9-3-1-2-8(6-9)7-23-13-15-14-12(24-13)10-4-5-11(22-10)17(20)21/h1-6H,7H2