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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C19H18N4O4S/c1-13-20-21-19(22(13)9-14-5-3-2-4-6-14)28-11-16-8-17(23(24)25)7-15-10-26-12-27-18(15)16/h2-8H,9-12H2,1H3