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

Systemtic Name: 1-(4-nitrophenyl)-2-(pyrimidin-4-ylmethylsulfanyl)ethanone Openeye Name: 1-(4-nitrophenyl)-2-(pyrimidin-4-ylmethylsulfanyl)ethanone CAS Name: 1-(4-nitrophenyl)-2-(4-pyrimidinylmethylthio)ethanone IUPAC Name: 1-(4-nitrophenyl)-2-(pyrimidin-4-ylmethylsulfanyl)ethanone Traditional Name: 1-(4-nitrophenyl)-2-(4-pyrimidylmethylthio)ethanone Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O3S/c17-13(8-20-7-11-5-6-14-9-15-11)10-1-3-12(4-2-10)16(18)19/h1-6,9H,7-8H2