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

Systemtic Name: 3-[[4-nitro-7-(3-phenylpropylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[4-nitro-7-(3-phenylpropylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[4-nitro-7-(3-phenylpropylthio)-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[4-nitro-7-(3-phenylpropylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[4-nitro-7-(3-phenylpropylthio)benzofurazan-5-yl]amino]propan-1-ol Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO

Isomeric SMILES

C1=CC=C(C=C1)CCCSC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO

InChI

InChI=1S/C18H20N4O4S/c23-10-5-9-19-14-12-15(16-17(21-26-20-16)18(14)22(24)25)27-11-4-8-13-6-2-1-3-7-13/h1-3,6-7,12,19,23H,4-5,8-11H2