4-cyclohexyl-3-(4-methoxyphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-(4-methoxyphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(4-methoxyphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(4-methoxyphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(4-methoxyphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(4-methoxyphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazole Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C24H26N4O5S/c1-31-21-9-7-16(8-10-21)23-25-26-24(27(23)19-5-3-2-4-6-19)34-14-18-12-20(28(29)30)11-17-13-32-15-33-22(17)18/h7-12,19H,2-6,13-15H2,1H3