2-[[7-(3-methylbutylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol

Systemtic Name: 2-[[7-(3-methylbutylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol Openeye Name: 2-[(7-isopentylsulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol CAS Name: 2-[[7-(3-methylbutylthio)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol IUPAC Name: 2-[[7-(3-methylbutylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol Traditional Name: 2-[[7-(isoamylthio)-4-nitro-benzofurazan-5-yl]amino]ethanol Formula: C13H18N4O4S MolecularWeight: 326.37142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCCO

Isomeric SMILES

CC(C)CCSC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCCO

InChI

InChI=1S/C13H18N4O4S/c1-8(2)3-6-22-10-7-9(14-4-5-18)13(17(19)20)12-11(10)15-21-16-12/h7-8,14,18H,3-6H2,1-2H3