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

Systemtic Name: 3-(2-methylfuran-3-yl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(2-methyl-3-furyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(2-methyl-3-furanyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(2-methylfuran-3-yl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(2-methyl-3-furyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-phenyl-1,2,4-triazole Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C22H18N4O5S/c1-14-19(7-8-30-14)21-23-24-22(25(21)17-5-3-2-4-6-17)32-12-16-10-18(26(27)28)9-15-11-29-13-31-20(15)16/h2-10H,11-13H2,1H3