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

Systemtic Name: 3-(4-chlorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-octyl-1,2,4-triazole Openeye Name: 3-(4-chlorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-octyl-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-octyl-1,2,4-triazole IUPAC Name: 3-(4-chlorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-octyl-1,2,4-triazole Traditional Name: 3-(4-chlorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-octyl-1,2,4-triazole Formula: C25H29ClN4O4S MolecularWeight: 517.04016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCCCCCN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H29ClN4O4S/c1-2-3-4-5-6-7-12-29-24(18-8-10-21(26)11-9-18)27-28-25(29)35-16-20-14-22(30(31)32)13-19-15-33-17-34-23(19)20/h8-11,13-14H,2-7,12,15-17H2,1H3