1-(4-nitrophenyl)-2-(pyridin-4-ylmethylsulfanyl)ethanone

Systemtic Name: 1-(4-nitrophenyl)-2-(pyridin-4-ylmethylsulfanyl)ethanone Openeye Name: 1-(4-nitrophenyl)-2-(4-pyridylmethylsulfanyl)ethanone CAS Name: 1-(4-nitrophenyl)-2-(pyridin-4-ylmethylthio)ethanone IUPAC Name: 1-(4-nitrophenyl)-2-(pyridin-4-ylmethylsulfanyl)ethanone Traditional Name: 1-(4-nitrophenyl)-2-(4-pyridylmethylthio)ethanone Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSCC2=CC=NC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSCC2=CC=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O3S/c17-14(10-20-9-11-5-7-15-8-6-11)12-1-3-13(4-2-12)16(18)19/h1-8H,9-10H2