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

Systemtic Name: 3-[(4-nitro-7-propan-2-ylsulfanyl-2,1,3-benzoxadiazol-5-yl)amino]propan-1-ol Openeye Name: 3-[(7-isopropylsulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propan-1-ol CAS Name: 3-[[4-nitro-7-(propan-2-ylthio)-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[(4-nitro-7-propan-2-ylsulfanyl-2,1,3-benzoxadiazol-5-yl)amino]propan-1-ol Traditional Name: 3-[[7-(isopropylthio)-4-nitro-benzofurazan-5-yl]amino]propan-1-ol Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O4S/c1-7(2)21-9-6-8(13-4-3-5-17)12(16(18)19)11-10(9)14-20-15-11/h6-7,13,17H,3-5H2,1-2H3