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

Systemtic Name: 3-[[7-(1-methylimidazol-2-yl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[7-(1-methylimidazol-2-yl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[7-[(1-methyl-2-imidazolyl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[7-(1-methylimidazol-2-yl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[7-[(1-methylimidazol-2-yl)thio]-4-nitro-benzofurazan-5-yl]amino]propan-1-ol Formula: C13H14N6O4S MolecularWeight: 350.35306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO

Isomeric SMILES

CN1C=CN=C1SC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO

InChI

InChI=1S/C13H14N6O4S/c1-18-5-4-15-13(18)24-9-7-8(14-3-2-6-20)12(19(21)22)11-10(9)16-23-17-11/h4-5,7,14,20H,2-3,6H2,1H3