N-(2-methoxyethyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(2-methoxyethyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-(2-methoxyethyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-(2-methoxyethyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(2-methoxyethyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: 2-methoxyethyl-[5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazol-2-yl]amine Formula: C14H16N4O5S2 MolecularWeight: 384.43064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NN=C(S1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

COCCNC1=NN=C(S1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C14H16N4O5S2/c1-21-3-2-15-13-16-17-14(25-13)24-7-10-5-11(18(19)20)4-9-6-22-8-23-12(9)10/h4-5H,2-3,6-8H2,1H3,(H,15,16)