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

Systemtic Name: 3-[[4-nitro-7-(phenylmethylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino]propyl ethanoate Openeye Name: 3-[(7-benzylsulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propyl acetate CAS Name: acetic acid 3-[[4-nitro-7-(phenylmethylthio)-2,1,3-benzoxadiazol-5-yl]amino]propyl ester IUPAC Name: 3-[(7-benzylsulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propyl acetate Traditional Name: acetic acid 3-[[7-(benzylthio)-4-nitro-benzofurazan-5-yl]amino]propyl ester Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCNC1=C(C2=NON=C2C(=C1)SCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCCNC1=C(C2=NON=C2C(=C1)SCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c1-12(23)26-9-5-8-19-14-10-15(28-11-13-6-3-2-4-7-13)16-17(21-27-20-16)18(14)22(24)25/h2-4,6-7,10,19H,5,8-9,11H2,1H3