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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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