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

Systemtic Name: 2-[[4-nitro-7-(3-phenylpropylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino]ethanol Openeye Name: 2-[[4-nitro-7-(3-phenylpropylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino]ethanol CAS Name: 2-[[4-nitro-7-(3-phenylpropylthio)-2,1,3-benzoxadiazol-5-yl]amino]ethanol IUPAC Name: 2-[[4-nitro-7-(3-phenylpropylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino]ethanol Traditional Name: 2-[[4-nitro-7-(3-phenylpropylthio)benzofurazan-5-yl]amino]ethanol Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O4S/c22-9-8-18-13-11-14(15-16(20-25-19-15)17(13)21(23)24)26-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,11,18,22H,4,7-10H2