7-[(3S)-3-isothiocyanatopyrrolidin-1-yl]-4-nitro-2,1,3-benzoxadiazole

Systemtic Name: 7-[(3S)-3-isothiocyanatopyrrolidin-1-yl]-4-nitro-2,1,3-benzoxadiazole Openeye Name: 7-[(3S)-3-isothiocyanatopyrrolidin-1-yl]-4-nitro-2,1,3-benzoxadiazole CAS Name: 7-[(3S)-3-isothiocyanato-1-pyrrolidinyl]-4-nitro-2,1,3-benzoxadiazole IUPAC Name: 7-[(3S)-3-isothiocyanatopyrrolidin-1-yl]-4-nitro-2,1,3-benzoxadiazole Traditional Name: 4-[(3S)-3-isothiocyanatopyrrolidino]-7-nitro-benzofurazan Formula: C11H9N5O3S MolecularWeight: 291.28586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N=C=S)C2=CC=C(C3=NON=C23)[N+](=O)[O-]

Isomeric SMILES

C1CN(C[C@H]1N=C=S)C2=CC=C(C3=NON=C23)[N+](=O)[O-]

InChI

InChI=1S/C11H9N5O3S/c17-16(18)9-2-1-8(10-11(9)14-19-13-10)15-4-3-7(5-15)12-6-20/h1-2,7H,3-5H2/t7-/m0/s1