3-(1,3-benzodioxol-5-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-nitrobenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C22H16N4O4S MolecularWeight: 432.45184

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O4S/c27-26(28)18-9-6-15(7-10-18)13-31-22-24-23-21(25(22)17-4-2-1-3-5-17)16-8-11-19-20(12-16)30-14-29-19/h1-12H,13-14H2