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

Systemtic Name: 4-(2-methoxy-5-methyl-phenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-(2-methoxy-5-methyl-phenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-(2-methoxy-5-methylphenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-(2-methoxy-5-methylphenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-(2-methoxy-5-methyl-phenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(2-thienyl)-1,2,4-triazole Formula: C23H20N4O5S2 MolecularWeight: 496.5587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC=CS5

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC=CS5

InChI

InChI=1S/C23H20N4O5S2/c1-14-5-6-19(30-2)18(8-14)26-22(20-4-3-7-33-20)24-25-23(26)34-12-16-10-17(27(28)29)9-15-11-31-13-32-21(15)16/h3-10H,11-13H2,1-2H3