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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

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