3-[[7-(furan-2-ylmethylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol

Systemtic Name: 3-[[7-(furan-2-ylmethylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[7-(2-furylmethylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[7-(2-furanylmethylthio)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[7-(furan-2-ylmethylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[7-(2-furfurylthio)-4-nitro-benzofurazan-5-yl]amino]propan-1-ol Formula: C14H14N4O5S MolecularWeight: 350.34976

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CSC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO

Isomeric SMILES

C1=COC(=C1)CSC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO

InChI

InChI=1S/C14H14N4O5S/c19-5-2-4-15-10-7-11(24-8-9-3-1-6-22-9)12-13(17-23-16-12)14(10)18(20)21/h1,3,6-7,15,19H,2,4-5,8H2