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

Systemtic Name: 3-[[7-(4-methylphenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propyl ethanoate Openeye Name: 3-[[4-nitro-7-(p-tolylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino]propyl acetate CAS Name: acetic acid 3-[[7-[(4-methylphenyl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propyl ester IUPAC Name: 3-[[7-(4-methylphenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propyl acetate Traditional Name: acetic acid 3-[[4-nitro-7-(p-tolylthio)benzofurazan-5-yl]amino]propyl ester Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCOC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCOC(=O)C

InChI

InChI=1S/C18H18N4O5S/c1-11-4-6-13(7-5-11)28-15-10-14(19-8-3-9-26-12(2)23)18(22(24)25)17-16(15)20-27-21-17/h4-7,10,19H,3,8-9H2,1-2H3