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

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[(4-nitrobenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C23H18N4O4S MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O4S/c28-27(29)18-12-10-16(11-13-18)15-32-23-25-24-22(26(23)17-6-2-1-3-7-17)21-14-30-19-8-4-5-9-20(19)31-21/h1-13,21H,14-15H2