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

Systemtic Name: N-butyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-butyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-butyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-butyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: butyl-[5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazol-2-yl]amine Formula: C15H18N4O4S2 MolecularWeight: 382.45782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C15H18N4O4S2/c1-2-3-4-16-14-17-18-15(25-14)24-8-11-6-12(19(20)21)5-10-7-22-9-23-13(10)11/h5-6H,2-4,7-9H2,1H3,(H,16,17)