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

Systemtic Name: 2-(5-nitro-2-pyrrolidin-1-yl-phenyl)-1-pyrrolidin-1-yl-ethanethione Openeye Name: 2-(5-nitro-2-pyrrolidin-1-yl-phenyl)-1-pyrrolidin-1-yl-ethanethione CAS Name: 2-[5-nitro-2-(1-pyrrolidinyl)phenyl]-1-(1-pyrrolidinyl)ethanethione IUPAC Name: 2-(5-nitro-2-pyrrolidin-1-ylphenyl)-1-pyrrolidin-1-ylethanethione Traditional Name: 2-(5-nitro-2-pyrrolidino-phenyl)-1-pyrrolidino-ethanethione Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])CC(=S)N3CCCC3

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])CC(=S)N3CCCC3

InChI

InChI=1S/C16H21N3O2S/c20-19(21)14-5-6-15(17-7-1-2-8-17)13(11-14)12-16(22)18-9-3-4-10-18/h5-6,11H,1-4,7-10,12H2