2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-(4-nitrophenyl)ethanone Formula: C14H13N3O3S MolecularWeight: 303.33632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C14H13N3O3S/c1-9-7-10(2)16-14(15-9)21-8-13(18)11-3-5-12(6-4-11)17(19)20/h3-7H,8H2,1-2H3