2-methylsulfanyl-N-(4-nitrophenyl)-4-phenyl-pyrimidin-1-ium-1-amine

Systemtic Name: 2-methylsulfanyl-N-(4-nitrophenyl)-4-phenyl-pyrimidin-1-ium-1-amine Openeye Name: 2-methylsulfanyl-N-(4-nitrophenyl)-4-phenyl-pyrimidin-1-ium-1-amine CAS Name: 2-(methylthio)-N-(4-nitrophenyl)-4-phenyl-1-pyrimidin-1-iumamine IUPAC Name: 2-methylsulfanyl-N-(4-nitrophenyl)-4-phenylpyrimidin-1-ium-1-amine Traditional Name: [2-(methylthio)-4-phenyl-pyrimidin-1-ium-1-yl]-(4-nitrophenyl)amine Formula: C17H15N4O2S+ MolecularWeight: 339.3916

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=[N+](C=CC(=N1)C2=CC=CC=C2)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=[N+](C=CC(=N1)C2=CC=CC=C2)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N4O2S/c1-24-17-18-16(13-5-3-2-4-6-13)11-12-20(17)19-14-7-9-15(10-8-14)21(22)23/h2-12,19H,1H3/q+1