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

Systemtic Name: 3-[[7-(4-chlorophenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[7-(4-chlorophenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[7-[(4-chlorophenyl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[7-(4-chlorophenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[7-[(4-chlorophenyl)thio]-4-nitro-benzofurazan-5-yl]amino]propan-1-ol Formula: C15H13ClN4O4S MolecularWeight: 380.80612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO)Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO)Cl

InChI

InChI=1S/C15H13ClN4O4S/c16-9-2-4-10(5-3-9)25-12-8-11(17-6-1-7-21)15(20(22)23)14-13(12)18-24-19-14/h2-5,8,17,21H,1,6-7H2