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

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

Systemtic Name:1-(4-nitrophenyl)-2-(pyrimidin-4-ylmethylsulfanyl)ethanol
Openeye Name:1-(4-nitrophenyl)-2-(pyrimidin-4-ylmethylsulfanyl)ethanol
CAS Name:1-(4-nitrophenyl)-2-(4-pyrimidinylmethylthio)ethanol
IUPAC Name:1-(4-nitrophenyl)-2-(pyrimidin-4-ylmethylsulfanyl)ethanol
Traditional Name:1-(4-nitrophenyl)-2-(4-pyrimidylmethylthio)ethanol
Formula: C13H13N3O3S
MolecularWeight: 291.32562
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H13N3O3S/c17-13(8-20-7-11-5-6-14-9-15-11)10-1-3-12(4-2-10)16(18)19/h1-6,9,13,17H,7-8H2


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