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

Systemtic Name: 2-[[7-(1,3-benzoxazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]-methyl-amino]ethanol Openeye Name: 2-[[7-(1,3-benzoxazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]-methyl-amino]ethanol CAS Name: 2-[[7-(1,3-benzoxazol-2-ylthio)-4-nitro-2,1,3-benzoxadiazol-5-yl]-methylamino]ethanol IUPAC Name: 2-[[7-(1,3-benzoxazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]-methylamino]ethanol Traditional Name: 2-[[7-(1,3-benzoxazol-2-ylthio)-4-nitro-benzofurazan-5-yl]-methyl-amino]ethanol Formula: C16H13N5O5S MolecularWeight: 387.36992

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)C1=C(C2=NON=C2C(=C1)SC3=NC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CN(CCO)C1=C(C2=NON=C2C(=C1)SC3=NC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O5S/c1-20(6-7-22)10-8-12(13-14(19-26-18-13)15(10)21(23)24)27-16-17-9-4-2-3-5-11(9)25-16/h2-5,8,22H,6-7H2,1H3