3-[(4-nitro-7-propan-2-ylsulfanyl-2,1,3-benzoxadiazol-5-yl)amino]propyl ethanoate

Systemtic Name: 3-[(4-nitro-7-propan-2-ylsulfanyl-2,1,3-benzoxadiazol-5-yl)amino]propyl ethanoate Openeye Name: 3-[(7-isopropylsulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propyl acetate CAS Name: acetic acid 3-[[4-nitro-7-(propan-2-ylthio)-2,1,3-benzoxadiazol-5-yl]amino]propyl ester IUPAC Name: 3-[(4-nitro-7-propan-2-ylsulfanyl-2,1,3-benzoxadiazol-5-yl)amino]propyl acetate Traditional Name: acetic acid 3-[[7-(isopropylthio)-4-nitro-benzofurazan-5-yl]amino]propyl ester Formula: C14H18N4O5S MolecularWeight: 354.38152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCCCOC(=O)C

Isomeric SMILES

CC(C)SC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCCCOC(=O)C

InChI

InChI=1S/C14H18N4O5S/c1-8(2)24-11-7-10(15-5-4-6-22-9(3)19)14(18(20)21)13-12(11)16-23-17-13/h7-8,15H,4-6H2,1-3H3