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

Systemtic Name: 4-(3,4-dimethylphenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-(3,4-dimethylphenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 4-(3,4-dimethylphenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(3,4-dimethylphenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 4-(3,4-dimethylphenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenyl-1,2,4-triazole Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC=CC=C5)C

InChI

InChI=1S/C25H22N4O4S/c1-16-8-9-21(10-17(16)2)28-24(18-6-4-3-5-7-18)26-27-25(28)34-14-20-12-22(29(30)31)11-19-13-32-15-33-23(19)20/h3-12H,13-15H2,1-2H3