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

Systemtic Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-N-propyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazol-2-yl]-propyl-amine Formula: C14H16N4O4S2 MolecularWeight: 368.43124

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NN=C(S1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCCNC1=NN=C(S1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C14H16N4O4S2/c1-2-3-15-13-16-17-14(24-13)23-7-10-5-11(18(19)20)4-9-6-21-8-22-12(9)10/h4-5H,2-3,6-8H2,1H3,(H,15,16)