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

Systemtic Name: N-(2,4-dinitrophenyl)-4-(4-methylphenyl)-2-methylsulfanyl-pyrimidin-1-ium-1-amine Openeye Name: N-(2,4-dinitrophenyl)-2-methylsulfanyl-4-(p-tolyl)pyrimidin-1-ium-1-amine CAS Name: N-(2,4-dinitrophenyl)-4-(4-methylphenyl)-2-(methylthio)-1-pyrimidin-1-iumamine IUPAC Name: N-(2,4-dinitrophenyl)-4-(4-methylphenyl)-2-methylsulfanylpyrimidin-1-ium-1-amine Traditional Name: (2,4-dinitrophenyl)-[2-(methylthio)-4-(p-tolyl)pyrimidin-1-ium-1-yl]amine Formula: C18H16N5O4S+ MolecularWeight: 398.41574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=[N+](C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])SC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=[N+](C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])SC

InChI

InChI=1S/C18H16N5O4S/c1-12-3-5-13(6-4-12)15-9-10-21(18(19-15)28-2)20-16-8-7-14(22(24)25)11-17(16)23(26)27/h3-11,20H,1-2H3/q+1