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

Systemtic Name: 3-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]propan-1-ol Openeye Name: 3-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]propan-1-ol CAS Name: 3-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]-1-propanol IUPAC Name: 3-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]propan-1-ol Traditional Name: 3-[(4-nitropiazthiol-5-yl)amino]propan-1-ol Formula: C9H10N4O3S MolecularWeight: 254.2657

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1NCCCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=NSN=C2C(=C1NCCCO)[N+](=O)[O-]

InChI

InChI=1S/C9H10N4O3S/c14-5-1-4-10-7-3-2-6-8(12-17-11-6)9(7)13(15)16/h2-3,10,14H,1,4-5H2