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

Systemtic Name: 2-[(3-methylphenoxy)methyl]-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-[(3-methylphenoxy)methyl]-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-[(3-methylphenoxy)methyl]-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-[(3-methylphenoxy)methyl]-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-[(3-methylphenoxy)methyl]-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-oxadiazole Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C19H17N3O6S/c1-12-3-2-4-16(5-12)26-9-17-20-21-19(28-17)29-10-14-7-15(22(23)24)6-13-8-25-11-27-18(13)14/h2-7H,8-11H2,1H3