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

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[(4-methoxy-3-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[(4-methoxy-3-nitro-benzyl)thio]-4-phenyl-1,2,4-triazole Formula: C24H20N4O5S MolecularWeight: 476.5044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4COC5=CC=CC=C5O4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4COC5=CC=CC=C5O4)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O5S/c1-31-19-12-11-16(13-18(19)28(29)30)15-34-24-26-25-23(27(24)17-7-3-2-4-8-17)22-14-32-20-9-5-6-10-21(20)33-22/h2-13,22H,14-15H2,1H3