4,6,6-trimethyl-2-methylsulfanyl-3-(3-nitrophenyl)-1H-pyrimidin-3-ium

Systemtic Name: 4,6,6-trimethyl-2-methylsulfanyl-3-(3-nitrophenyl)-1H-pyrimidin-3-ium Openeye Name: 4,6,6-trimethyl-2-methylsulfanyl-3-(3-nitrophenyl)-1H-pyrimidin-3-ium CAS Name: 4,6,6-trimethyl-2-(methylthio)-3-(3-nitrophenyl)-1H-pyrimidin-3-ium IUPAC Name: 4,6,6-trimethyl-2-methylsulfanyl-3-(3-nitrophenyl)-1H-pyrimidin-3-ium Traditional Name: 4,6,6-trimethyl-2-(methylthio)-3-(3-nitrophenyl)-1H-pyrimidin-3-ium Formula: C14H18N3O2S+ MolecularWeight: 292.37662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(NC(=[N+]1C2=CC(=CC=C2)[N+](=O)[O-])SC)(C)C

Isomeric SMILES

CC1=CC(NC(=[N+]1C2=CC(=CC=C2)[N+](=O)[O-])SC)(C)C

InChI

InChI=1S/C14H17N3O2S/c1-10-9-14(2,3)15-13(20-4)16(10)11-6-5-7-12(8-11)17(18)19/h5-9H,1-4H3/p+1