2-(2-nitro-5-pyrrolidin-1-yl-phenyl)sulfanylethanol

Systemtic Name: 2-(2-nitro-5-pyrrolidin-1-yl-phenyl)sulfanylethanol Openeye Name: 2-(2-nitro-5-pyrrolidin-1-yl-phenyl)sulfanylethanol CAS Name: 2-[[2-nitro-5-(1-pyrrolidinyl)phenyl]thio]ethanol IUPAC Name: 2-(2-nitro-5-pyrrolidin-1-ylphenyl)sulfanylethanol Traditional Name: 2-[(2-nitro-5-pyrrolidino-phenyl)thio]ethanol Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])SCCO

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])SCCO

InChI

InChI=1S/C12H16N2O3S/c15-7-8-18-12-9-10(13-5-1-2-6-13)3-4-11(12)14(16)17/h3-4,9,15H,1-2,5-8H2