3-(4-nitrophenyl)sulfanyl-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-(4-nitrophenyl)sulfanyl-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-(4-nitrophenyl)sulfanyl-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[(4-nitrophenyl)thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-(4-nitrophenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[(4-nitrophenyl)thio]-1-pyrrolidino-propan-1-one Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O3S/c16-13(14-8-1-2-9-14)7-10-19-12-5-3-11(4-6-12)15(17)18/h3-6H,1-2,7-10H2