6-nitro-3-[(2R)-1,3-oxathiolan-2-yl]-1-phenyl-4-(phenylmethylsulfanyl)indazole

Systemtic Name: 6-nitro-3-[(2R)-1,3-oxathiolan-2-yl]-1-phenyl-4-(phenylmethylsulfanyl)indazole Openeye Name: 4-benzylsulfanyl-6-nitro-3-[(2R)-1,3-oxathiolan-2-yl]-1-phenyl-indazole CAS Name: 6-nitro-3-[(2R)-1,3-oxathiolan-2-yl]-1-phenyl-4-(phenylmethylthio)indazole IUPAC Name: 4-benzylsulfanyl-6-nitro-3-[(2R)-1,3-oxathiolan-2-yl]-1-phenylindazole Traditional Name: 4-(benzylthio)-6-nitro-3-[(2R)-1,3-oxathiolan-2-yl]-1-phenyl-indazole Formula: C23H19N3O3S2 MolecularWeight: 449.54526

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(O1)C2=NN(C3=CC(=CC(=C32)SCC4=CC=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1CS[C@@H](O1)C2=NN(C3=CC(=CC(=C32)SCC4=CC=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C23H19N3O3S2/c27-26(28)18-13-19-21(20(14-18)31-15-16-7-3-1-4-8-16)22(23-29-11-12-30-23)24-25(19)17-9-5-2-6-10-17/h1-10,13-14,23H,11-12,15H2/t23-/m1/s1