[3-nitro-4-(pyridin-3-ylmethylsulfanyl)phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [3-nitro-4-(pyridin-3-ylmethylsulfanyl)phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [3-nitro-4-(3-pyridylmethylsulfanyl)phenyl]-pyrrolidin-1-yl-methanone CAS Name: [3-nitro-4-(3-pyridinylmethylthio)phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [3-nitro-4-(pyridin-3-ylmethylsulfanyl)phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [3-nitro-4-(3-pyridylmethylthio)phenyl]-pyrrolidino-methanone Formula: C17H17N3O3S MolecularWeight: 343.40018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=C(C=C2)SCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=C(C=C2)SCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O3S/c21-17(19-8-1-2-9-19)14-5-6-16(15(10-14)20(22)23)24-12-13-4-3-7-18-11-13/h3-7,10-11H,1-2,8-9,12H2