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

Systemtic Name: N-(2,4-dinitrophenyl)-2-methylsulfanyl-4-phenyl-pyrimidin-1-ium-1-amine Openeye Name: N-(2,4-dinitrophenyl)-2-methylsulfanyl-4-phenyl-pyrimidin-1-ium-1-amine CAS Name: N-(2,4-dinitrophenyl)-2-(methylthio)-4-phenyl-1-pyrimidin-1-iumamine IUPAC Name: N-(2,4-dinitrophenyl)-2-methylsulfanyl-4-phenylpyrimidin-1-ium-1-amine Traditional Name: (2,4-dinitrophenyl)-[2-(methylthio)-4-phenyl-pyrimidin-1-ium-1-yl]amine Formula: C17H14N5O4S+ MolecularWeight: 384.38916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N5O4S/c1-27-17-18-14(12-5-3-2-4-6-12)9-10-20(17)19-15-8-7-13(21(23)24)11-16(15)22(25)26/h2-11,19H,1H3/q+1