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

Systemtic Name: 4-cyclohexylsulfanyl-6-nitro-3-[(2R)-1,3-oxathiolan-2-yl]-1-phenyl-indazole Openeye Name: 4-cyclohexylsulfanyl-6-nitro-3-[(2R)-1,3-oxathiolan-2-yl]-1-phenyl-indazole CAS Name: 4-(cyclohexylthio)-6-nitro-3-[(2R)-1,3-oxathiolan-2-yl]-1-phenylindazole IUPAC Name: 4-cyclohexylsulfanyl-6-nitro-3-[(2R)-1,3-oxathiolan-2-yl]-1-phenylindazole Traditional Name: 4-(cyclohexylthio)-6-nitro-3-[(2R)-1,3-oxathiolan-2-yl]-1-phenyl-indazole Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=C3C(=CC(=C2)[N+](=O)[O-])N(N=C3C4OCCS4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)SC2=C3C(=CC(=C2)[N+](=O)[O-])N(N=C3[C@@H]4OCCS4)C5=CC=CC=C5

InChI

InChI=1S/C22H23N3O3S2/c26-25(27)16-13-18-20(19(14-16)30-17-9-5-2-6-10-17)21(22-28-11-12-29-22)23-24(18)15-7-3-1-4-8-15/h1,3-4,7-8,13-14,17,22H,2,5-6,9-12H2/t22-/m1/s1