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

Systemtic Name: [3-nitro-4-(pyridin-3-ylmethylsulfanyl)phenyl]-piperidin-1-yl-methanone Openeye Name: [3-nitro-4-(3-pyridylmethylsulfanyl)phenyl]-(1-piperidyl)methanone CAS Name: [3-nitro-4-(3-pyridinylmethylthio)phenyl]-(1-piperidinyl)methanone IUPAC Name: [3-nitro-4-(pyridin-3-ylmethylsulfanyl)phenyl]-piperidin-1-ylmethanone Traditional Name: [3-nitro-4-(3-pyridylmethylthio)phenyl]-piperidino-methanone Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC(=C(C=C2)SCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC(=C(C=C2)SCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O3S/c22-18(20-9-2-1-3-10-20)15-6-7-17(16(11-15)21(23)24)25-13-14-5-4-8-19-12-14/h4-8,11-12H,1-3,9-10,13H2