2-(2-nitro-5-pyrrolidin-1-yl-phenyl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-(2-nitro-5-pyrrolidin-1-yl-phenyl)sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(2-nitro-5-pyrrolidin-1-yl-phenyl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[[2-nitro-5-(1-pyrrolidinyl)phenyl]thio]-N-phenylacetamide IUPAC Name: 2-(2-nitro-5-pyrrolidin-1-ylphenyl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(2-nitro-5-pyrrolidino-phenyl)thio]-N-phenyl-acetamide Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O3S/c22-18(19-14-6-2-1-3-7-14)13-25-17-12-15(20-10-4-5-11-20)8-9-16(17)21(23)24/h1-3,6-9,12H,4-5,10-11,13H2,(H,19,22)