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

Systemtic Name: 5-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(phenylmethyl)-1H-imidazole Openeye Name: 4-benzyl-5-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-imidazole CAS Name: 5-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-(phenylmethyl)-1H-imidazole IUPAC Name: 4-benzyl-5-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-imidazole Traditional Name: 4-benzyl-5-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-imidazole Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(N1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)CC4=CC=CC=C4

InChI

InChI=1S/C20H19N3O4S/c1-13-18(7-14-5-3-2-4-6-14)22-20(21-13)28-11-16-9-17(23(24)25)8-15-10-26-12-27-19(15)16/h2-6,8-9H,7,10-12H2,1H3,(H,21,22)