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

Systemtic Name: 3-methyl-4-(2-methylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-methyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(o-tolyl)-1,2,4-triazole CAS Name: 3-methyl-4-(2-methylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazole IUPAC Name: 3-methyl-4-(2-methylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-methyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-(o-tolyl)-1,2,4-triazole Formula: C19H18N4O4S MolecularWeight: 398.43562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C

InChI

InChI=1S/C19H18N4O4S/c1-12-5-3-4-6-17(12)22-13(2)20-21-19(22)28-10-15-8-16(23(24)25)7-14-9-26-11-27-18(14)15/h3-8H,9-11H2,1-2H3