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

Systemtic Name: 3-[(4-nitro-1,3-benzothiazol-5-yl)amino]propan-1-ol Openeye Name: 3-[(4-nitro-1,3-benzothiazol-5-yl)amino]propan-1-ol CAS Name: 3-[(4-nitro-1,3-benzothiazol-5-yl)amino]-1-propanol IUPAC Name: 3-[(4-nitro-1,3-benzothiazol-5-yl)amino]propan-1-ol Traditional Name: 3-[(4-nitro-1,3-benzothiazol-5-yl)amino]propan-1-ol Formula: C10H11N3O3S MolecularWeight: 253.27764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1NCCCO)[N+](=O)[O-])N=CS2

Isomeric SMILES

C1=CC2=C(C(=C1NCCCO)[N+](=O)[O-])N=CS2

InChI

InChI=1S/C10H11N3O3S/c14-5-1-4-11-7-2-3-8-9(12-6-17-8)10(7)13(15)16/h2-3,6,11,14H,1,4-5H2