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

Systemtic Name: 3-(3-methylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(m-tolyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(3-methylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(3-methylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(m-tolyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-phenyl-1,2,4-triazole Formula: C24H20N4O4S MolecularWeight: 460.505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C24H20N4O4S/c1-16-6-5-7-17(10-16)23-25-26-24(27(23)20-8-3-2-4-9-20)33-14-19-12-21(28(29)30)11-18-13-31-15-32-22(18)19/h2-12H,13-15H2,1H3