4-(furan-2-ylmethylsulfanyl)-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-indazole

Systemtic Name: 4-(furan-2-ylmethylsulfanyl)-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-indazole Openeye Name: 4-(2-furylmethylsulfanyl)-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-indazole CAS Name: 4-(2-furanylmethylthio)-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenylindazole IUPAC Name: 4-(furan-2-ylmethylsulfanyl)-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenylindazole Traditional Name: 4-(2-furfurylthio)-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-indazole Formula: C21H17N3O4S2 MolecularWeight: 439.50738

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(O1)C2=NN(C3=CC(=CC(=C32)SCC4=CC=CO4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1CSC(O1)C2=NN(C3=CC(=CC(=C32)SCC4=CC=CO4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C21H17N3O4S2/c25-24(26)15-11-17-19(18(12-15)30-13-16-7-4-8-27-16)20(21-28-9-10-29-21)22-23(17)14-5-2-1-3-6-14/h1-8,11-12,21H,9-10,13H2