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

Systemtic Name: 3-[[7-(4-methylphenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[4-nitro-7-(p-tolylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[7-[(4-methylphenyl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[7-(4-methylphenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[4-nitro-7-(p-tolylthio)benzofurazan-5-yl]amino]propan-1-ol Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O4S/c1-10-3-5-11(6-4-10)25-13-9-12(17-7-2-8-21)16(20(22)23)15-14(13)18-24-19-15/h3-6,9,17,21H,2,7-8H2,1H3