2-[2-(4-nitrophenyl)ethylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[2-(4-nitrophenyl)ethylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[2-(4-nitrophenyl)ethylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[2-(4-nitrophenyl)ethylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[2-(4-nitrophenyl)ethylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[2-(4-nitrophenyl)ethylthio]-1H-pyrimidin-6-one Formula: C12H11N3O3S MolecularWeight: 277.29904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCSC2=NC=CC(=O)N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCSC2=NC=CC(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O3S/c16-11-5-7-13-12(14-11)19-8-6-9-1-3-10(4-2-9)15(17)18/h1-5,7H,6,8H2,(H,13,14,16)