3-(1,3-benzodioxol-5-yloxymethyl)-5-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-yloxymethyl)-5-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yloxymethyl)-5-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yloxymethyl)-5-[(2-chloro-6-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yloxymethyl)-5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yloxymethyl)-5-[(2-chloro-6-nitro-benzyl)thio]-4-phenyl-1,2,4-triazole Formula: C23H17ClN4O5S MolecularWeight: 496.92288

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)SCC5=C(C=CC=C5Cl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)SCC5=C(C=CC=C5Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H17ClN4O5S/c24-18-7-4-8-19(28(29)30)17(18)13-34-23-26-25-22(27(23)15-5-2-1-3-6-15)12-31-16-9-10-20-21(11-16)33-14-32-20/h1-11H,12-14H2