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

Systemtic Name: 2-[[7-(1-methylimidazol-2-yl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl butanoate Openeye Name: 2-[[7-(1-methylimidazol-2-yl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl butanoate CAS Name: butanoic acid 2-[[7-[(1-methyl-2-imidazolyl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl ester IUPAC Name: 2-[[7-(1-methylimidazol-2-yl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl butanoate Traditional Name: butyric acid 2-[[7-[(1-methylimidazol-2-yl)thio]-4-nitro-benzofurazan-5-yl]amino]ethyl ester Formula: C16H18N6O5S MolecularWeight: 406.41632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCCNC1=C(C2=NON=C2C(=C1)SC3=NC=CN3C)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)OCCNC1=C(C2=NON=C2C(=C1)SC3=NC=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O5S/c1-3-4-12(23)26-8-6-17-10-9-11(28-16-18-5-7-21(16)2)13-14(20-27-19-13)15(10)22(24)25/h5,7,9,17H,3-4,6,8H2,1-2H3