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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NN=C(S1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC(C)NC1=NN=C(S1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C14H16N4O4S2/c1-8(2)15-13-16-17-14(24-13)23-6-10-4-11(18(19)20)3-9-5-21-7-22-12(9)10/h3-4,8H,5-7H2,1-2H3,(H,15,16)