4-cyclohexylsulfanyl-3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-indazole

Systemtic Name: 4-cyclohexylsulfanyl-3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-indazole Openeye Name: 4-cyclohexylsulfanyl-3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-indazole CAS Name: 4-(cyclohexylthio)-3-(1,3-dioxolan-2-yl)-6-nitro-1-phenylindazole IUPAC Name: 4-cyclohexylsulfanyl-3-(1,3-dioxolan-2-yl)-6-nitro-1-phenylindazole Traditional Name: 4-(cyclohexylthio)-3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-indazole Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=C3C(=CC(=C2)[N+](=O)[O-])N(N=C3C4OCCO4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)SC2=C3C(=CC(=C2)[N+](=O)[O-])N(N=C3C4OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H23N3O4S/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